USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 912 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 180:sc= -0.0845 USER MOD Set 1.2: A 105 ASN : amide:sc= -10.5! C(o=-11!,f=-13!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 100:sc= -1.68 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 65:sc= -2.99! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 153:sc= -1.43! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0866 K(o=0.087,f=-0.82) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000118 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.52 F(o=-3.8!,f=-2.5) USER MOD Single : A 67 LYS NZ :NH3+ -111:sc= -8.02! (180deg=-14.3!) USER MOD Single : A 77 TYR OH : rot 117:sc= 0.847 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -104:sc= -0.622 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 90:sc= -2.94! USER MOD Single : A 94 SER OG : rot 72:sc= -0.481 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -3.817 6.770 -11.623 1.00 0.00 N ATOM 103 CA MET A 8 -2.600 7.191 -10.937 1.00 0.00 C ATOM 104 C MET A 8 -1.938 6.017 -10.229 1.00 0.00 C ATOM 105 O MET A 8 -2.510 5.429 -9.313 1.00 0.00 O ATOM 106 CB MET A 8 -2.913 8.301 -9.929 1.00 0.00 C ATOM 107 CG MET A 8 -1.745 9.241 -9.681 1.00 0.00 C ATOM 108 SD MET A 8 -2.033 10.900 -10.328 1.00 0.00 S ATOM 109 CE MET A 8 -0.772 10.991 -11.597 1.00 0.00 C ATOM 0 HA MET A 8 -1.908 7.575 -11.686 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.764 8.879 -10.289 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.212 7.849 -8.984 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.555 9.302 -8.609 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.848 8.827 -10.141 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.822 11.962 -12.090 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.211 10.865 -11.143 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.937 10.202 -12.331 1.00 0.00 H new ATOM 119 N ARG A 9 -0.729 5.674 -10.663 1.00 0.00 N ATOM 120 CA ARG A 9 0.005 4.562 -10.067 1.00 0.00 C ATOM 121 C ARG A 9 1.336 5.011 -9.472 1.00 0.00 C ATOM 122 O ARG A 9 2.005 5.894 -10.007 1.00 0.00 O ATOM 123 CB ARG A 9 0.225 3.456 -11.108 1.00 0.00 C ATOM 124 CG ARG A 9 1.484 3.630 -11.945 1.00 0.00 C ATOM 125 CD ARG A 9 2.641 2.823 -11.377 1.00 0.00 C ATOM 126 NE ARG A 9 3.566 2.382 -12.418 1.00 0.00 N ATOM 127 CZ ARG A 9 3.287 1.426 -13.299 1.00 0.00 C ATOM 128 NH1 ARG A 9 2.110 0.811 -13.274 1.00 0.00 N ATOM 129 NH2 ARG A 9 4.186 1.083 -14.212 1.00 0.00 N ATOM 0 H ARG A 9 -0.238 6.147 -11.422 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.598 4.168 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.272 2.495 -10.596 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.638 3.421 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.288 3.316 -12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.757 4.685 -11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.179 3.427 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.251 1.954 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 9 4.479 2.834 -12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.413 1.071 -12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.903 0.079 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.091 1.553 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.972 0.350 -14.888 1.00 0.00 H new ATOM 143 N LEU A 10 1.716 4.370 -8.371 1.00 0.00 N ATOM 144 CA LEU A 10 2.978 4.672 -7.701 1.00 0.00 C ATOM 145 C LEU A 10 3.906 3.467 -7.775 1.00 0.00 C ATOM 146 O LEU A 10 3.468 2.353 -8.063 1.00 0.00 O ATOM 147 CB LEU A 10 2.780 5.086 -6.226 1.00 0.00 C ATOM 148 CG LEU A 10 1.340 5.056 -5.696 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.328 5.173 -4.172 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.525 6.177 -6.318 1.00 0.00 C ATOM 0 H LEU A 10 1.167 3.636 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 10 3.423 5.520 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.387 4.430 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.170 6.096 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 10 0.890 4.103 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.299 5.150 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.882 4.340 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.795 6.112 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.494 6.143 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.976 7.137 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.507 6.056 -7.401 1.00 0.00 H new ATOM 162 N ARG A 11 5.186 3.692 -7.515 1.00 0.00 N ATOM 163 CA ARG A 11 6.170 2.622 -7.557 1.00 0.00 C ATOM 164 C ARG A 11 6.685 2.303 -6.156 1.00 0.00 C ATOM 165 O ARG A 11 6.824 3.194 -5.318 1.00 0.00 O ATOM 166 CB ARG A 11 7.334 3.012 -8.473 1.00 0.00 C ATOM 167 CG ARG A 11 7.692 1.944 -9.493 1.00 0.00 C ATOM 168 CD ARG A 11 8.325 0.727 -8.836 1.00 0.00 C ATOM 169 NE ARG A 11 9.664 0.459 -9.355 1.00 0.00 N ATOM 170 CZ ARG A 11 9.902 -0.121 -10.530 1.00 0.00 C ATOM 171 NH1 ARG A 11 8.895 -0.495 -11.309 1.00 0.00 N ATOM 172 NH2 ARG A 11 11.151 -0.327 -10.926 1.00 0.00 N ATOM 0 H ARG A 11 5.567 4.607 -7.273 1.00 0.00 H new ATOM 0 HA ARG A 11 5.689 1.729 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.079 3.933 -8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.210 3.226 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.795 1.641 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.381 2.360 -10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.378 0.883 -7.759 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.691 -0.144 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 11 10.464 0.732 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.933 -0.339 -11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.083 -0.939 -12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.928 -0.041 -10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.334 -0.771 -11.826 1.00 0.00 H new ATOM 186 N ILE A 12 6.978 1.030 -5.912 1.00 0.00 N ATOM 187 CA ILE A 12 7.489 0.595 -4.620 1.00 0.00 C ATOM 188 C ILE A 12 8.539 -0.492 -4.828 1.00 0.00 C ATOM 189 O ILE A 12 8.213 -1.643 -5.122 1.00 0.00 O ATOM 190 CB ILE A 12 6.343 0.108 -3.684 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.999 1.204 -2.673 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.699 -1.183 -2.956 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.551 1.190 -2.235 1.00 0.00 C ATOM 0 H ILE A 12 6.869 0.280 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 12 7.956 1.446 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 12 5.476 -0.104 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.636 1.091 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.228 2.176 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.868 -1.481 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.896 -1.969 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.588 -1.023 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.380 1.994 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.907 1.334 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.322 0.232 -1.768 1.00 0.00 H new ATOM 205 N ARG A 13 9.804 -0.109 -4.697 1.00 0.00 N ATOM 206 CA ARG A 13 10.905 -1.045 -4.895 1.00 0.00 C ATOM 207 C ARG A 13 11.488 -1.513 -3.568 1.00 0.00 C ATOM 208 O ARG A 13 11.374 -0.835 -2.547 1.00 0.00 O ATOM 209 CB ARG A 13 12.004 -0.415 -5.755 1.00 0.00 C ATOM 210 CG ARG A 13 12.519 0.908 -5.213 1.00 0.00 C ATOM 211 CD ARG A 13 13.536 1.537 -6.154 1.00 0.00 C ATOM 212 NE ARG A 13 14.875 0.988 -5.958 1.00 0.00 N ATOM 213 CZ ARG A 13 15.946 1.390 -6.637 1.00 0.00 C ATOM 214 NH1 ARG A 13 15.841 2.341 -7.556 1.00 0.00 N ATOM 215 NH2 ARG A 13 17.129 0.838 -6.396 1.00 0.00 N ATOM 0 H ARG A 13 10.092 0.839 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 13 10.502 -1.915 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.837 -1.114 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.620 -0.260 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.684 1.593 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.975 0.749 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.225 1.374 -7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.559 2.615 -5.995 1.00 0.00 H new ATOM 0 HE ARG A 13 14.996 0.254 -5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.935 2.769 -7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.666 2.644 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.216 0.106 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.951 1.146 -6.916 1.00 0.00 H new ATOM 229 N PHE A 14 12.118 -2.680 -3.602 1.00 0.00 N ATOM 230 CA PHE A 14 12.737 -3.265 -2.423 1.00 0.00 C ATOM 231 C PHE A 14 14.059 -3.920 -2.802 1.00 0.00 C ATOM 232 O PHE A 14 14.169 -4.552 -3.853 1.00 0.00 O ATOM 233 CB PHE A 14 11.804 -4.299 -1.786 1.00 0.00 C ATOM 234 CG PHE A 14 10.767 -3.698 -0.882 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.570 -3.223 -1.396 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.986 -3.612 0.483 1.00 0.00 C ATOM 237 CE1 PHE A 14 8.613 -2.672 -0.565 1.00 0.00 C ATOM 238 CE2 PHE A 14 10.032 -3.063 1.318 1.00 0.00 C ATOM 239 CZ PHE A 14 8.845 -2.592 0.793 1.00 0.00 C ATOM 0 H PHE A 14 12.213 -3.245 -4.446 1.00 0.00 H new ATOM 0 HA PHE A 14 12.925 -2.473 -1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.304 -4.860 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.400 -5.012 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.383 -3.284 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.913 -3.978 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.685 -2.305 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.215 -3.002 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.099 -2.161 1.444 1.00 0.00 H new ATOM 249 N GLU A 15 15.061 -3.755 -1.952 1.00 0.00 N ATOM 250 CA GLU A 15 16.388 -4.317 -2.204 1.00 0.00 C ATOM 251 C GLU A 15 16.316 -5.767 -2.684 1.00 0.00 C ATOM 252 O GLU A 15 17.200 -6.232 -3.402 1.00 0.00 O ATOM 253 CB GLU A 15 17.258 -4.252 -0.942 1.00 0.00 C ATOM 254 CG GLU A 15 18.222 -3.076 -0.905 1.00 0.00 C ATOM 255 CD GLU A 15 17.644 -1.812 -1.515 1.00 0.00 C ATOM 256 OE1 GLU A 15 17.729 -1.656 -2.752 1.00 0.00 O ATOM 257 OE2 GLU A 15 17.107 -0.977 -0.756 1.00 0.00 O ATOM 0 H GLU A 15 14.984 -3.235 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 15 16.836 -3.713 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.607 -4.201 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.829 -5.177 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.503 -2.877 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.134 -3.345 -1.438 1.00 0.00 H new ATOM 264 N SER A 16 15.279 -6.482 -2.269 1.00 0.00 N ATOM 265 CA SER A 16 15.126 -7.881 -2.649 1.00 0.00 C ATOM 266 C SER A 16 13.770 -8.149 -3.295 1.00 0.00 C ATOM 267 O SER A 16 13.299 -9.288 -3.304 1.00 0.00 O ATOM 268 CB SER A 16 15.298 -8.779 -1.422 1.00 0.00 C ATOM 269 OG SER A 16 16.653 -9.149 -1.246 1.00 0.00 O ATOM 0 H SER A 16 14.535 -6.120 -1.673 1.00 0.00 H new ATOM 0 HA SER A 16 15.898 -8.108 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.942 -8.258 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.685 -9.674 -1.534 1.00 0.00 H new ATOM 0 HG SER A 16 16.736 -9.721 -0.455 1.00 0.00 H new ATOM 275 N ALA A 17 13.137 -7.111 -3.838 1.00 0.00 N ATOM 276 CA ALA A 17 11.831 -7.292 -4.481 1.00 0.00 C ATOM 277 C ALA A 17 11.318 -6.007 -5.128 1.00 0.00 C ATOM 278 O ALA A 17 11.679 -4.904 -4.722 1.00 0.00 O ATOM 279 CB ALA A 17 10.811 -7.815 -3.472 1.00 0.00 C ATOM 0 H ALA A 17 13.494 -6.156 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 17 11.965 -8.025 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.847 -7.944 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.148 -8.773 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.709 -7.101 -2.655 1.00 0.00 H new ATOM 285 N GLU A 18 10.466 -6.167 -6.143 1.00 0.00 N ATOM 286 CA GLU A 18 9.887 -5.025 -6.857 1.00 0.00 C ATOM 287 C GLU A 18 8.386 -5.221 -7.072 1.00 0.00 C ATOM 288 O GLU A 18 7.926 -6.341 -7.294 1.00 0.00 O ATOM 289 CB GLU A 18 10.586 -4.832 -8.205 1.00 0.00 C ATOM 290 CG GLU A 18 10.582 -6.080 -9.076 1.00 0.00 C ATOM 291 CD GLU A 18 9.575 -5.999 -10.206 1.00 0.00 C ATOM 292 OE1 GLU A 18 9.703 -5.087 -11.051 1.00 0.00 O ATOM 293 OE2 GLU A 18 8.658 -6.845 -10.246 1.00 0.00 O ATOM 0 H GLU A 18 10.161 -7.077 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 18 10.035 -4.134 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.098 -4.020 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.617 -4.524 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.578 -6.231 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.359 -6.950 -8.458 1.00 0.00 H new ATOM 300 N CYS A 19 7.619 -4.128 -7.002 1.00 0.00 N ATOM 301 CA CYS A 19 6.162 -4.208 -7.190 1.00 0.00 C ATOM 302 C CYS A 19 5.558 -2.833 -7.479 1.00 0.00 C ATOM 303 O CYS A 19 6.071 -1.811 -7.021 1.00 0.00 O ATOM 304 CB CYS A 19 5.475 -4.830 -5.956 1.00 0.00 C ATOM 305 SG CYS A 19 6.563 -5.133 -4.539 1.00 0.00 S ATOM 0 H CYS A 19 7.974 -3.189 -6.819 1.00 0.00 H new ATOM 0 HA CYS A 19 5.987 -4.851 -8.053 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.667 -4.171 -5.639 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.018 -5.775 -6.252 1.00 0.00 H new ATOM 0 HG CYS A 19 6.418 -4.178 -3.669 1.00 0.00 H new ATOM 311 N GLU A 20 4.460 -2.814 -8.242 1.00 0.00 N ATOM 312 CA GLU A 20 3.784 -1.566 -8.585 1.00 0.00 C ATOM 313 C GLU A 20 2.311 -1.636 -8.194 1.00 0.00 C ATOM 314 O GLU A 20 1.756 -2.724 -8.034 1.00 0.00 O ATOM 315 CB GLU A 20 3.916 -1.278 -10.086 1.00 0.00 C ATOM 316 CG GLU A 20 5.173 -1.859 -10.713 1.00 0.00 C ATOM 317 CD GLU A 20 5.542 -1.182 -12.018 1.00 0.00 C ATOM 318 OE1 GLU A 20 5.371 0.052 -12.116 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.002 -1.884 -12.943 1.00 0.00 O ATOM 0 H GLU A 20 4.024 -3.650 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 20 4.258 -0.756 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.044 -1.681 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.909 -0.199 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.002 -1.763 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.027 -2.925 -10.890 1.00 0.00 H new ATOM 326 N VAL A 21 1.681 -0.477 -8.032 1.00 0.00 N ATOM 327 CA VAL A 21 0.272 -0.427 -7.647 1.00 0.00 C ATOM 328 C VAL A 21 -0.393 0.856 -8.147 1.00 0.00 C ATOM 329 O VAL A 21 0.221 1.924 -8.165 1.00 0.00 O ATOM 330 CB VAL A 21 0.101 -0.564 -6.107 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.453 -0.689 -5.423 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.693 0.595 -5.514 1.00 0.00 C ATOM 0 H VAL A 21 2.119 0.435 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.224 -1.275 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.469 -1.476 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.309 -0.784 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.971 -1.572 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.050 0.198 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.788 0.458 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.175 1.532 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.685 0.625 -5.965 1.00 0.00 H new ATOM 342 N GLU A 22 -1.656 0.737 -8.548 1.00 0.00 N ATOM 343 CA GLU A 22 -2.421 1.875 -9.045 1.00 0.00 C ATOM 344 C GLU A 22 -3.165 2.552 -7.901 1.00 0.00 C ATOM 345 O GLU A 22 -3.030 2.147 -6.747 1.00 0.00 O ATOM 346 CB GLU A 22 -3.404 1.426 -10.127 1.00 0.00 C ATOM 347 CG GLU A 22 -2.767 1.290 -11.502 1.00 0.00 C ATOM 348 CD GLU A 22 -3.222 0.044 -12.237 1.00 0.00 C ATOM 349 OE1 GLU A 22 -3.691 -0.902 -11.572 1.00 0.00 O ATOM 350 OE2 GLU A 22 -3.112 0.016 -13.482 1.00 0.00 O ATOM 0 H GLU A 22 -2.173 -0.142 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.728 2.593 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.837 0.468 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.223 2.143 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.011 2.169 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.682 1.268 -11.395 1.00 0.00 H new ATOM 357 N LEU A 23 -3.937 3.590 -8.208 1.00 0.00 N ATOM 358 CA LEU A 23 -4.674 4.298 -7.170 1.00 0.00 C ATOM 359 C LEU A 23 -5.957 4.916 -7.717 1.00 0.00 C ATOM 360 O LEU A 23 -5.945 5.606 -8.737 1.00 0.00 O ATOM 361 CB LEU A 23 -3.779 5.377 -6.542 1.00 0.00 C ATOM 362 CG LEU A 23 -4.481 6.372 -5.609 1.00 0.00 C ATOM 363 CD1 LEU A 23 -4.368 5.925 -4.157 1.00 0.00 C ATOM 364 CD2 LEU A 23 -3.886 7.759 -5.780 1.00 0.00 C ATOM 0 H LEU A 23 -4.067 3.954 -9.152 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.961 3.578 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.985 4.882 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.301 5.938 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.538 6.405 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.873 6.646 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.833 4.946 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.317 5.863 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.392 8.457 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.824 7.731 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.015 8.085 -6.812 1.00 0.00 H new ATOM 376 N TYR A 24 -7.060 4.666 -7.019 1.00 0.00 N ATOM 377 CA TYR A 24 -8.360 5.198 -7.418 1.00 0.00 C ATOM 378 C TYR A 24 -8.861 6.210 -6.386 1.00 0.00 C ATOM 379 O TYR A 24 -8.745 5.988 -5.181 1.00 0.00 O ATOM 380 CB TYR A 24 -9.375 4.060 -7.598 1.00 0.00 C ATOM 381 CG TYR A 24 -8.843 2.889 -8.398 1.00 0.00 C ATOM 382 CD1 TYR A 24 -7.977 3.085 -9.470 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.207 1.586 -8.081 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.491 2.017 -10.198 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.724 0.513 -8.806 1.00 0.00 C ATOM 386 CZ TYR A 24 -7.868 0.733 -9.863 1.00 0.00 C ATOM 387 OH TYR A 24 -7.385 -0.333 -10.585 1.00 0.00 O ATOM 0 H TYR A 24 -7.080 4.097 -6.172 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.247 5.709 -8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.687 3.705 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.263 4.453 -8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.680 4.089 -9.737 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.879 1.409 -7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.819 2.186 -11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.016 -0.493 -8.545 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.747 -1.167 -10.219 1.00 0.00 H new ATOM 397 N GLU A 25 -9.398 7.332 -6.868 1.00 0.00 N ATOM 398 CA GLU A 25 -9.896 8.394 -5.982 1.00 0.00 C ATOM 399 C GLU A 25 -10.978 7.913 -5.013 1.00 0.00 C ATOM 400 O GLU A 25 -11.377 8.657 -4.119 1.00 0.00 O ATOM 401 CB GLU A 25 -10.432 9.575 -6.788 1.00 0.00 C ATOM 402 CG GLU A 25 -9.407 10.210 -7.715 1.00 0.00 C ATOM 403 CD GLU A 25 -7.999 10.196 -7.148 1.00 0.00 C ATOM 404 OE1 GLU A 25 -7.439 9.093 -6.973 1.00 0.00 O ATOM 405 OE2 GLU A 25 -7.456 11.289 -6.881 1.00 0.00 O ATOM 0 H GLU A 25 -9.501 7.532 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.037 8.708 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.284 9.240 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.802 10.334 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.413 9.682 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.700 11.240 -7.919 1.00 0.00 H new ATOM 412 N GLU A 26 -11.467 6.686 -5.191 1.00 0.00 N ATOM 413 CA GLU A 26 -12.516 6.153 -4.320 1.00 0.00 C ATOM 414 C GLU A 26 -12.210 6.447 -2.849 1.00 0.00 C ATOM 415 O GLU A 26 -13.122 6.601 -2.037 1.00 0.00 O ATOM 416 CB GLU A 26 -12.669 4.643 -4.536 1.00 0.00 C ATOM 417 CG GLU A 26 -11.538 3.816 -3.944 1.00 0.00 C ATOM 418 CD GLU A 26 -11.602 2.359 -4.360 1.00 0.00 C ATOM 419 OE1 GLU A 26 -12.722 1.854 -4.578 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.532 1.725 -4.466 1.00 0.00 O ATOM 0 H GLU A 26 -11.158 6.047 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.454 6.645 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.612 4.317 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.730 4.444 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.583 4.238 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.575 3.882 -2.857 1.00 0.00 H new ATOM 427 N TRP A 27 -10.925 6.557 -2.521 1.00 0.00 N ATOM 428 CA TRP A 27 -10.508 6.872 -1.165 1.00 0.00 C ATOM 429 C TRP A 27 -10.739 8.358 -0.903 1.00 0.00 C ATOM 430 O TRP A 27 -11.412 8.727 0.060 1.00 0.00 O ATOM 431 CB TRP A 27 -9.031 6.493 -0.968 1.00 0.00 C ATOM 432 CG TRP A 27 -8.399 7.083 0.255 1.00 0.00 C ATOM 433 CD1 TRP A 27 -9.033 7.531 1.378 1.00 0.00 C ATOM 434 CD2 TRP A 27 -7.000 7.282 0.475 1.00 0.00 C ATOM 435 NE1 TRP A 27 -8.111 8.000 2.282 1.00 0.00 N ATOM 436 CE2 TRP A 27 -6.855 7.857 1.750 1.00 0.00 C ATOM 437 CE3 TRP A 27 -5.856 7.029 -0.286 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -5.610 8.183 2.281 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -4.620 7.352 0.242 1.00 0.00 C ATOM 440 CH2 TRP A 27 -4.506 7.924 1.514 1.00 0.00 C ATOM 0 H TRP A 27 -10.156 6.432 -3.180 1.00 0.00 H new ATOM 0 HA TRP A 27 -11.097 6.297 -0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.951 5.407 -0.916 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.467 6.812 -1.844 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -10.102 7.519 1.533 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.326 8.391 3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.936 6.589 -1.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.518 8.624 3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.728 7.160 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.526 8.166 1.899 1.00 0.00 H new ATOM 451 N ALA A 28 -10.199 9.207 -1.787 1.00 0.00 N ATOM 452 CA ALA A 28 -10.367 10.662 -1.679 1.00 0.00 C ATOM 453 C ALA A 28 -9.293 11.418 -2.464 1.00 0.00 C ATOM 454 O ALA A 28 -8.112 11.360 -2.123 1.00 0.00 O ATOM 455 CB ALA A 28 -10.359 11.116 -0.220 1.00 0.00 C ATOM 0 H ALA A 28 -9.640 8.910 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.338 10.898 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.485 12.198 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.176 10.633 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.410 10.842 0.241 1.00 0.00 H new ATOM 461 N PRO A 29 -9.689 12.143 -3.531 1.00 0.00 N ATOM 462 CA PRO A 29 -8.752 12.909 -4.355 1.00 0.00 C ATOM 463 C PRO A 29 -7.786 13.751 -3.517 1.00 0.00 C ATOM 464 O PRO A 29 -6.614 13.892 -3.863 1.00 0.00 O ATOM 465 CB PRO A 29 -9.645 13.826 -5.208 1.00 0.00 C ATOM 466 CG PRO A 29 -11.065 13.530 -4.830 1.00 0.00 C ATOM 467 CD PRO A 29 -11.074 12.266 -4.016 1.00 0.00 C ATOM 0 HA PRO A 29 -8.123 12.245 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.408 14.874 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.483 13.643 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.487 14.356 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.681 13.414 -5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.782 12.329 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.363 11.405 -4.619 1.00 0.00 H new ATOM 475 N GLU A 30 -8.289 14.316 -2.421 1.00 0.00 N ATOM 476 CA GLU A 30 -7.475 15.149 -1.541 1.00 0.00 C ATOM 477 C GLU A 30 -6.328 14.355 -0.926 1.00 0.00 C ATOM 478 O GLU A 30 -5.184 14.809 -0.913 1.00 0.00 O ATOM 479 CB GLU A 30 -8.340 15.754 -0.436 1.00 0.00 C ATOM 480 CG GLU A 30 -9.323 16.801 -0.936 1.00 0.00 C ATOM 481 CD GLU A 30 -10.583 16.190 -1.513 1.00 0.00 C ATOM 482 OE1 GLU A 30 -11.110 15.234 -0.906 1.00 0.00 O ATOM 483 OE2 GLU A 30 -11.046 16.667 -2.570 1.00 0.00 O ATOM 0 H GLU A 30 -9.258 14.211 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.047 15.950 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.893 14.956 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.692 16.206 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.590 17.465 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.840 17.414 -1.697 1.00 0.00 H new ATOM 490 N THR A 31 -6.637 13.166 -0.415 1.00 0.00 N ATOM 491 CA THR A 31 -5.613 12.318 0.201 1.00 0.00 C ATOM 492 C THR A 31 -4.579 11.897 -0.840 1.00 0.00 C ATOM 493 O THR A 31 -3.375 11.954 -0.593 1.00 0.00 O ATOM 494 CB THR A 31 -6.248 11.078 0.852 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.614 10.971 0.495 1.00 0.00 O ATOM 496 CG2 THR A 31 -6.169 11.072 2.369 1.00 0.00 C ATOM 0 H THR A 31 -7.576 12.769 -0.413 1.00 0.00 H new ATOM 0 HA THR A 31 -5.115 12.895 0.980 1.00 0.00 H new ATOM 0 HB THR A 31 -5.668 10.235 0.477 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.689 10.822 -0.471 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.638 10.166 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.124 11.100 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.688 11.945 2.764 1.00 0.00 H new ATOM 504 N VAL A 32 -5.061 11.491 -2.012 1.00 0.00 N ATOM 505 CA VAL A 32 -4.187 11.075 -3.106 1.00 0.00 C ATOM 506 C VAL A 32 -3.052 12.079 -3.313 1.00 0.00 C ATOM 507 O VAL A 32 -1.926 11.703 -3.638 1.00 0.00 O ATOM 508 CB VAL A 32 -4.988 10.930 -4.420 1.00 0.00 C ATOM 509 CG1 VAL A 32 -4.064 10.716 -5.612 1.00 0.00 C ATOM 510 CG2 VAL A 32 -5.992 9.792 -4.305 1.00 0.00 C ATOM 0 H VAL A 32 -6.056 11.441 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.760 10.109 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.532 11.859 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.659 10.618 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.392 11.568 -5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.480 9.808 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.549 9.702 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.464 8.859 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.684 9.998 -3.488 1.00 0.00 H new ATOM 520 N ARG A 33 -3.362 13.358 -3.127 1.00 0.00 N ATOM 521 CA ARG A 33 -2.374 14.422 -3.298 1.00 0.00 C ATOM 522 C ARG A 33 -1.150 14.201 -2.405 1.00 0.00 C ATOM 523 O ARG A 33 -0.019 14.457 -2.820 1.00 0.00 O ATOM 524 CB ARG A 33 -3.001 15.787 -2.996 1.00 0.00 C ATOM 525 CG ARG A 33 -2.234 16.958 -3.592 1.00 0.00 C ATOM 526 CD ARG A 33 -2.542 18.256 -2.863 1.00 0.00 C ATOM 527 NE ARG A 33 -1.918 19.409 -3.509 1.00 0.00 N ATOM 528 CZ ARG A 33 -2.107 20.668 -3.121 1.00 0.00 C ATOM 529 NH1 ARG A 33 -2.902 20.941 -2.093 1.00 0.00 N ATOM 530 NH2 ARG A 33 -1.502 21.656 -3.764 1.00 0.00 N ATOM 0 H ARG A 33 -4.290 13.685 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.043 14.400 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.022 15.801 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.063 15.917 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.164 16.757 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.489 17.062 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.621 18.403 -2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.193 18.185 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.302 19.239 -4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.372 20.184 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.043 21.908 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.892 21.451 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.646 22.621 -3.467 1.00 0.00 H new ATOM 544 N ALA A 34 -1.379 13.731 -1.180 1.00 0.00 N ATOM 545 CA ALA A 34 -0.287 13.486 -0.240 1.00 0.00 C ATOM 546 C ALA A 34 0.630 12.376 -0.736 1.00 0.00 C ATOM 547 O ALA A 34 1.853 12.520 -0.725 1.00 0.00 O ATOM 548 CB ALA A 34 -0.837 13.146 1.134 1.00 0.00 C ATOM 0 H ALA A 34 -2.307 13.513 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 34 0.303 14.399 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.011 12.966 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.440 13.977 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.455 12.251 1.067 1.00 0.00 H new ATOM 554 N ILE A 35 0.038 11.275 -1.182 1.00 0.00 N ATOM 555 CA ILE A 35 0.822 10.150 -1.691 1.00 0.00 C ATOM 556 C ILE A 35 1.745 10.632 -2.813 1.00 0.00 C ATOM 557 O ILE A 35 2.948 10.367 -2.796 1.00 0.00 O ATOM 558 CB ILE A 35 -0.054 8.996 -2.240 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.507 9.112 -1.770 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.528 7.654 -1.824 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.661 9.062 -0.265 1.00 0.00 C ATOM 0 H ILE A 35 -0.972 11.135 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 35 1.391 9.762 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.053 9.068 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.926 10.048 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.090 8.305 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.095 6.850 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.538 7.556 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.559 7.592 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.716 9.150 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.272 8.115 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.106 9.885 0.185 1.00 0.00 H new ATOM 573 N ALA A 36 1.173 11.359 -3.785 1.00 0.00 N ATOM 574 CA ALA A 36 1.948 11.890 -4.902 1.00 0.00 C ATOM 575 C ALA A 36 2.982 12.891 -4.401 1.00 0.00 C ATOM 576 O ALA A 36 4.020 13.091 -5.021 1.00 0.00 O ATOM 577 CB ALA A 36 1.032 12.539 -5.927 1.00 0.00 C ATOM 0 H ALA A 36 0.180 11.589 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 36 2.470 11.064 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.628 12.929 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.328 11.798 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.483 13.356 -5.459 1.00 0.00 H new ATOM 583 N ASP A 37 2.692 13.523 -3.269 1.00 0.00 N ATOM 584 CA ASP A 37 3.619 14.493 -2.693 1.00 0.00 C ATOM 585 C ASP A 37 4.827 13.782 -2.069 1.00 0.00 C ATOM 586 O ASP A 37 5.897 14.371 -1.919 1.00 0.00 O ATOM 587 CB ASP A 37 2.911 15.346 -1.639 1.00 0.00 C ATOM 588 CG ASP A 37 3.575 16.695 -1.449 1.00 0.00 C ATOM 589 OD1 ASP A 37 3.396 17.574 -2.318 1.00 0.00 O ATOM 590 OD2 ASP A 37 4.275 16.873 -0.428 1.00 0.00 O ATOM 0 H ASP A 37 1.833 13.384 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 37 3.973 15.143 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.872 15.493 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.901 14.811 -0.689 1.00 0.00 H new ATOM 595 N ALA A 38 4.636 12.515 -1.696 1.00 0.00 N ATOM 596 CA ALA A 38 5.679 11.713 -1.076 1.00 0.00 C ATOM 597 C ALA A 38 6.386 10.806 -2.092 1.00 0.00 C ATOM 598 O ALA A 38 6.562 9.611 -1.851 1.00 0.00 O ATOM 599 CB ALA A 38 5.064 10.883 0.039 1.00 0.00 C ATOM 0 H ALA A 38 3.752 12.021 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 38 6.436 12.384 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.838 10.277 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.618 11.545 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.295 10.231 -0.375 1.00 0.00 H new ATOM 605 N LEU A 39 6.802 11.386 -3.216 1.00 0.00 N ATOM 606 CA LEU A 39 7.509 10.636 -4.263 1.00 0.00 C ATOM 607 C LEU A 39 8.838 10.080 -3.699 1.00 0.00 C ATOM 608 O LEU A 39 8.943 9.944 -2.482 1.00 0.00 O ATOM 609 CB LEU A 39 7.689 11.514 -5.509 1.00 0.00 C ATOM 610 CG LEU A 39 6.386 12.069 -6.105 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.593 12.438 -7.567 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.244 11.060 -5.978 1.00 0.00 C ATOM 0 H LEU A 39 6.664 12.374 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 39 6.920 9.775 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.340 12.350 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.202 10.932 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 39 6.114 12.962 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.663 12.830 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.372 13.196 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.892 11.552 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.336 11.482 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.506 10.145 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.075 10.833 -4.925 1.00 0.00 H new ATOM 624 N PRO A 40 9.866 9.707 -4.525 1.00 0.00 N ATOM 625 CA PRO A 40 11.119 9.144 -4.005 1.00 0.00 C ATOM 626 C PRO A 40 11.489 9.635 -2.607 1.00 0.00 C ATOM 627 O PRO A 40 11.903 10.779 -2.419 1.00 0.00 O ATOM 628 CB PRO A 40 12.138 9.604 -5.033 1.00 0.00 C ATOM 629 CG PRO A 40 11.391 9.583 -6.327 1.00 0.00 C ATOM 630 CD PRO A 40 9.922 9.771 -6.003 1.00 0.00 C ATOM 0 HA PRO A 40 11.055 8.063 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.511 10.603 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.002 8.940 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.743 10.376 -6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.552 8.639 -6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.551 10.726 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.311 8.992 -6.459 1.00 0.00 H new ATOM 638 N ILE A 41 11.341 8.740 -1.636 1.00 0.00 N ATOM 639 CA ILE A 41 11.657 9.034 -0.245 1.00 0.00 C ATOM 640 C ILE A 41 12.103 7.754 0.461 1.00 0.00 C ATOM 641 O ILE A 41 11.678 6.660 0.094 1.00 0.00 O ATOM 642 CB ILE A 41 10.447 9.658 0.496 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.204 11.090 0.004 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.672 9.657 2.003 1.00 0.00 C ATOM 645 CD1 ILE A 41 9.076 11.802 0.723 1.00 0.00 C ATOM 0 H ILE A 41 10.999 7.792 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 41 12.466 9.764 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 41 9.568 9.052 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.121 11.666 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.983 11.065 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.809 10.100 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.805 8.632 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.564 10.238 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.965 12.809 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.147 11.250 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.303 11.861 1.788 1.00 0.00 H new ATOM 657 N LYS A 42 12.972 7.890 1.457 1.00 0.00 N ATOM 658 CA LYS A 42 13.477 6.729 2.182 1.00 0.00 C ATOM 659 C LYS A 42 12.548 6.324 3.326 1.00 0.00 C ATOM 660 O LYS A 42 12.091 7.167 4.099 1.00 0.00 O ATOM 661 CB LYS A 42 14.881 7.013 2.725 1.00 0.00 C ATOM 662 CG LYS A 42 15.987 6.741 1.718 1.00 0.00 C ATOM 663 CD LYS A 42 17.288 6.346 2.401 1.00 0.00 C ATOM 664 CE LYS A 42 18.246 7.521 2.494 1.00 0.00 C ATOM 665 NZ LYS A 42 19.170 7.579 1.327 1.00 0.00 N ATOM 0 H LYS A 42 13.339 8.785 1.779 1.00 0.00 H new ATOM 0 HA LYS A 42 13.521 5.898 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.936 8.055 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.049 6.402 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.675 5.945 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.151 7.630 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.075 5.968 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.759 5.534 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.677 8.449 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.827 7.444 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.807 8.395 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.731 6.704 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.618 7.678 0.451 1.00 0.00 H new ATOM 679 N SER A 43 12.275 5.023 3.421 1.00 0.00 N ATOM 680 CA SER A 43 11.405 4.486 4.463 1.00 0.00 C ATOM 681 C SER A 43 11.878 3.099 4.893 1.00 0.00 C ATOM 682 O SER A 43 12.443 2.354 4.090 1.00 0.00 O ATOM 683 CB SER A 43 9.955 4.423 3.977 1.00 0.00 C ATOM 684 OG SER A 43 9.660 3.177 3.376 1.00 0.00 O ATOM 0 H SER A 43 12.647 4.319 2.784 1.00 0.00 H new ATOM 0 HA SER A 43 11.453 5.153 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.282 4.590 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.776 5.225 3.260 1.00 0.00 H new ATOM 0 HG SER A 43 8.703 2.987 3.470 1.00 0.00 H new ATOM 690 N THR A 44 11.644 2.753 6.154 1.00 0.00 N ATOM 691 CA THR A 44 12.053 1.445 6.672 1.00 0.00 C ATOM 692 C THR A 44 10.848 0.512 6.734 1.00 0.00 C ATOM 693 O THR A 44 9.769 0.904 7.179 1.00 0.00 O ATOM 694 CB THR A 44 12.688 1.584 8.058 1.00 0.00 C ATOM 695 OG1 THR A 44 13.018 2.937 8.326 1.00 0.00 O ATOM 696 CG2 THR A 44 13.951 0.763 8.228 1.00 0.00 C ATOM 0 H THR A 44 11.177 3.352 6.835 1.00 0.00 H new ATOM 0 HA THR A 44 12.798 1.022 5.998 1.00 0.00 H new ATOM 0 HB THR A 44 11.937 1.213 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.421 3.005 9.217 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.347 0.909 9.233 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.722 -0.292 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.693 1.081 7.496 1.00 0.00 H new ATOM 704 N ALA A 45 11.028 -0.712 6.246 1.00 0.00 N ATOM 705 CA ALA A 45 9.946 -1.685 6.205 1.00 0.00 C ATOM 706 C ALA A 45 9.888 -2.575 7.442 1.00 0.00 C ATOM 707 O ALA A 45 10.904 -3.096 7.900 1.00 0.00 O ATOM 708 CB ALA A 45 10.083 -2.554 4.963 1.00 0.00 C ATOM 0 H ALA A 45 11.915 -1.052 5.874 1.00 0.00 H new ATOM 0 HA ALA A 45 9.016 -1.117 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.271 -3.281 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.038 -1.926 4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.038 -3.078 4.989 1.00 0.00 H new ATOM 714 N ASN A 46 8.671 -2.779 7.938 1.00 0.00 N ATOM 715 CA ASN A 46 8.441 -3.650 9.086 1.00 0.00 C ATOM 716 C ASN A 46 7.896 -4.992 8.585 1.00 0.00 C ATOM 717 O ASN A 46 6.861 -5.028 7.919 1.00 0.00 O ATOM 718 CB ASN A 46 7.453 -3.009 10.063 1.00 0.00 C ATOM 719 CG ASN A 46 8.144 -2.155 11.106 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.177 -2.539 11.655 1.00 0.00 O ATOM 721 ND2 ASN A 46 7.578 -0.987 11.384 1.00 0.00 N ATOM 0 H ASN A 46 7.826 -2.351 7.561 1.00 0.00 H new ATOM 0 HA ASN A 46 9.381 -3.806 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.743 -2.396 9.508 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.879 -3.791 10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.999 -0.368 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.722 -0.708 10.905 1.00 0.00 H new ATOM 728 N ARG A 47 8.603 -6.087 8.862 1.00 0.00 N ATOM 729 CA ARG A 47 8.180 -7.400 8.385 1.00 0.00 C ATOM 730 C ARG A 47 7.215 -8.097 9.350 1.00 0.00 C ATOM 731 O ARG A 47 7.450 -8.148 10.557 1.00 0.00 O ATOM 732 CB ARG A 47 9.415 -8.268 8.138 1.00 0.00 C ATOM 733 CG ARG A 47 10.007 -8.108 6.742 1.00 0.00 C ATOM 734 CD ARG A 47 10.649 -6.738 6.542 1.00 0.00 C ATOM 735 NE ARG A 47 9.819 -5.867 5.714 1.00 0.00 N ATOM 736 CZ ARG A 47 9.943 -5.759 4.392 1.00 0.00 C ATOM 737 NH1 ARG A 47 10.881 -6.437 3.744 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.129 -4.960 3.716 1.00 0.00 N ATOM 0 H ARG A 47 9.464 -6.090 9.409 1.00 0.00 H new ATOM 0 HA ARG A 47 7.632 -7.256 7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.177 -8.019 8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.150 -9.314 8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.753 -8.885 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.223 -8.252 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.814 -6.269 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.627 -6.859 6.076 1.00 0.00 H new ATOM 0 HE ARG A 47 9.101 -5.308 6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.516 -7.048 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.968 -6.347 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.410 -4.430 4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.222 -4.876 2.704 1.00 0.00 H new ATOM 752 N TRP A 48 6.130 -8.641 8.789 1.00 0.00 N ATOM 753 CA TRP A 48 5.115 -9.352 9.561 1.00 0.00 C ATOM 754 C TRP A 48 4.379 -10.332 8.649 1.00 0.00 C ATOM 755 O TRP A 48 4.247 -10.077 7.453 1.00 0.00 O ATOM 756 CB TRP A 48 4.125 -8.369 10.193 1.00 0.00 C ATOM 757 CG TRP A 48 3.036 -9.040 10.972 1.00 0.00 C ATOM 758 CD1 TRP A 48 1.999 -9.773 10.470 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.874 -9.040 12.395 1.00 0.00 C ATOM 760 NE1 TRP A 48 1.203 -10.230 11.493 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.719 -9.792 12.685 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.594 -8.478 13.453 1.00 0.00 C ATOM 763 CZ2 TRP A 48 1.270 -9.994 13.987 1.00 0.00 C ATOM 764 CZ3 TRP A 48 3.147 -8.680 14.745 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.994 -9.433 15.002 1.00 0.00 C ATOM 0 H TRP A 48 5.934 -8.599 7.789 1.00 0.00 H new ATOM 0 HA TRP A 48 5.603 -9.902 10.366 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.668 -7.691 10.852 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.677 -7.760 9.408 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.829 -9.966 9.421 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.365 -10.802 11.383 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.484 -7.896 13.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.381 -10.573 14.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.696 -8.250 15.570 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.670 -9.573 16.023 1.00 0.00 H new ATOM 776 N GLY A 49 3.922 -11.457 9.210 1.00 0.00 N ATOM 777 CA GLY A 49 3.220 -12.468 8.425 1.00 0.00 C ATOM 778 C GLY A 49 2.381 -11.884 7.302 1.00 0.00 C ATOM 779 O GLY A 49 1.207 -11.571 7.495 1.00 0.00 O ATOM 0 H GLY A 49 4.027 -11.686 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.949 -13.160 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.576 -13.048 9.086 1.00 0.00 H new ATOM 783 N ASP A 50 2.994 -11.730 6.131 1.00 0.00 N ATOM 784 CA ASP A 50 2.314 -11.172 4.961 1.00 0.00 C ATOM 785 C ASP A 50 2.093 -9.666 5.099 1.00 0.00 C ATOM 786 O ASP A 50 2.183 -8.928 4.117 1.00 0.00 O ATOM 787 CB ASP A 50 0.976 -11.875 4.724 1.00 0.00 C ATOM 788 CG ASP A 50 0.300 -11.401 3.453 1.00 0.00 C ATOM 789 OD1 ASP A 50 0.978 -11.351 2.406 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.904 -11.075 3.507 1.00 0.00 O ATOM 0 H ASP A 50 3.967 -11.985 5.965 1.00 0.00 H new ATOM 0 HA ASP A 50 2.963 -11.341 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.138 -12.952 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.317 -11.695 5.573 1.00 0.00 H new ATOM 795 N GLU A 51 1.797 -9.211 6.313 1.00 0.00 N ATOM 796 CA GLU A 51 1.557 -7.797 6.562 1.00 0.00 C ATOM 797 C GLU A 51 2.865 -7.013 6.579 1.00 0.00 C ATOM 798 O GLU A 51 3.829 -7.405 7.236 1.00 0.00 O ATOM 799 CB GLU A 51 0.822 -7.612 7.891 1.00 0.00 C ATOM 800 CG GLU A 51 -0.348 -6.642 7.814 1.00 0.00 C ATOM 801 CD GLU A 51 -0.234 -5.504 8.808 1.00 0.00 C ATOM 802 OE1 GLU A 51 0.898 -5.201 9.238 1.00 0.00 O ATOM 803 OE2 GLU A 51 -1.279 -4.915 9.159 1.00 0.00 O ATOM 0 H GLU A 51 1.718 -9.804 7.139 1.00 0.00 H new ATOM 0 HA GLU A 51 0.937 -7.413 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.457 -8.581 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.529 -7.256 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.409 -6.233 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.276 -7.184 7.994 1.00 0.00 H new ATOM 810 N ILE A 52 2.885 -5.900 5.858 1.00 0.00 N ATOM 811 CA ILE A 52 4.065 -5.048 5.792 1.00 0.00 C ATOM 812 C ILE A 52 3.647 -3.582 5.853 1.00 0.00 C ATOM 813 O ILE A 52 2.873 -3.118 5.022 1.00 0.00 O ATOM 814 CB ILE A 52 4.894 -5.332 4.509 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.311 -5.801 4.872 1.00 0.00 C ATOM 816 CG2 ILE A 52 4.970 -4.109 3.599 1.00 0.00 C ATOM 817 CD1 ILE A 52 6.404 -7.252 5.312 1.00 0.00 C ATOM 0 H ILE A 52 2.094 -5.565 5.308 1.00 0.00 H new ATOM 0 HA ILE A 52 4.701 -5.272 6.648 1.00 0.00 H new ATOM 0 HB ILE A 52 4.381 -6.125 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.960 -5.655 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.696 -5.167 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.558 -4.350 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.964 -3.817 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.442 -3.285 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.440 -7.495 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.785 -7.404 6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.054 -7.899 4.508 1.00 0.00 H new ATOM 829 N TYR A 53 4.147 -2.864 6.848 1.00 0.00 N ATOM 830 CA TYR A 53 3.802 -1.452 7.013 1.00 0.00 C ATOM 831 C TYR A 53 5.036 -0.601 7.287 1.00 0.00 C ATOM 832 O TYR A 53 5.854 -0.931 8.146 1.00 0.00 O ATOM 833 CB TYR A 53 2.788 -1.280 8.149 1.00 0.00 C ATOM 834 CG TYR A 53 3.294 -1.748 9.497 1.00 0.00 C ATOM 835 CD1 TYR A 53 3.107 -3.062 9.915 1.00 0.00 C ATOM 836 CD2 TYR A 53 3.961 -0.878 10.355 1.00 0.00 C ATOM 837 CE1 TYR A 53 3.566 -3.493 11.145 1.00 0.00 C ATOM 838 CE2 TYR A 53 4.425 -1.305 11.586 1.00 0.00 C ATOM 839 CZ TYR A 53 4.225 -2.612 11.976 1.00 0.00 C ATOM 840 OH TYR A 53 4.686 -3.039 13.199 1.00 0.00 O ATOM 0 H TYR A 53 4.789 -3.229 7.551 1.00 0.00 H new ATOM 0 HA TYR A 53 3.358 -1.111 6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.512 -0.228 8.220 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.881 -1.831 7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.594 -3.757 9.267 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.119 0.147 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.409 -4.516 11.454 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.942 -0.617 12.239 1.00 0.00 H new ATOM 0 HH TYR A 53 5.128 -2.296 13.660 1.00 0.00 H new ATOM 850 N PHE A 54 5.158 0.500 6.554 1.00 0.00 N ATOM 851 CA PHE A 54 6.285 1.409 6.718 1.00 0.00 C ATOM 852 C PHE A 54 5.816 2.862 6.707 1.00 0.00 C ATOM 853 O PHE A 54 4.882 3.217 5.989 1.00 0.00 O ATOM 854 CB PHE A 54 7.322 1.182 5.613 1.00 0.00 C ATOM 855 CG PHE A 54 6.849 1.565 4.232 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.645 2.894 3.893 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.613 0.592 3.272 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.212 3.243 2.628 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.180 0.936 2.005 1.00 0.00 C ATOM 860 CZ PHE A 54 5.980 2.264 1.683 1.00 0.00 C ATOM 0 H PHE A 54 4.488 0.785 5.839 1.00 0.00 H new ATOM 0 HA PHE A 54 6.748 1.203 7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.219 1.754 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.607 0.130 5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.827 3.666 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.770 -0.448 3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.055 4.282 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.998 0.168 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.643 2.536 0.694 1.00 0.00 H new ATOM 870 N THR A 55 6.476 3.702 7.499 1.00 0.00 N ATOM 871 CA THR A 55 6.128 5.122 7.566 1.00 0.00 C ATOM 872 C THR A 55 6.990 5.922 6.592 1.00 0.00 C ATOM 873 O THR A 55 8.161 5.604 6.387 1.00 0.00 O ATOM 874 CB THR A 55 6.316 5.650 8.991 1.00 0.00 C ATOM 875 OG1 THR A 55 6.392 4.582 9.918 1.00 0.00 O ATOM 876 CG2 THR A 55 5.198 6.568 9.439 1.00 0.00 C ATOM 0 H THR A 55 7.252 3.428 8.102 1.00 0.00 H new ATOM 0 HA THR A 55 5.081 5.237 7.286 1.00 0.00 H new ATOM 0 HB THR A 55 7.246 6.218 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.514 4.941 10.822 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.391 6.907 10.457 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.146 7.429 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.251 6.029 9.410 1.00 0.00 H new ATOM 884 N THR A 56 6.411 6.956 5.984 1.00 0.00 N ATOM 885 CA THR A 56 7.146 7.778 5.026 1.00 0.00 C ATOM 886 C THR A 56 7.225 9.239 5.471 1.00 0.00 C ATOM 887 O THR A 56 7.718 10.092 4.734 1.00 0.00 O ATOM 888 CB THR A 56 6.498 7.691 3.644 1.00 0.00 C ATOM 889 OG1 THR A 56 5.286 6.959 3.700 1.00 0.00 O ATOM 890 CG2 THR A 56 7.386 7.029 2.612 1.00 0.00 C ATOM 0 H THR A 56 5.444 7.242 6.136 1.00 0.00 H new ATOM 0 HA THR A 56 8.163 7.388 4.976 1.00 0.00 H new ATOM 0 HB THR A 56 6.320 8.723 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.887 6.917 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.869 6.998 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.310 7.598 2.508 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.620 6.013 2.931 1.00 0.00 H new ATOM 898 N GLN A 57 6.740 9.521 6.679 1.00 0.00 N ATOM 899 CA GLN A 57 6.758 10.879 7.233 1.00 0.00 C ATOM 900 C GLN A 57 5.571 11.711 6.743 1.00 0.00 C ATOM 901 O GLN A 57 5.348 12.819 7.230 1.00 0.00 O ATOM 902 CB GLN A 57 8.076 11.603 6.905 1.00 0.00 C ATOM 903 CG GLN A 57 9.306 10.713 7.015 1.00 0.00 C ATOM 904 CD GLN A 57 10.249 11.153 8.117 1.00 0.00 C ATOM 905 OE1 GLN A 57 11.085 12.036 7.920 1.00 0.00 O ATOM 906 NE2 GLN A 57 10.120 10.539 9.287 1.00 0.00 N ATOM 0 H GLN A 57 6.327 8.824 7.298 1.00 0.00 H new ATOM 0 HA GLN A 57 6.677 10.774 8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.018 12.004 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.191 12.452 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.991 9.686 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.838 10.716 6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.414 9.813 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.727 10.794 10.066 1.00 0.00 H new ATOM 915 N VAL A 58 4.798 11.182 5.792 1.00 0.00 N ATOM 916 CA VAL A 58 3.640 11.905 5.284 1.00 0.00 C ATOM 917 C VAL A 58 2.436 11.674 6.190 1.00 0.00 C ATOM 918 O VAL A 58 1.959 10.548 6.329 1.00 0.00 O ATOM 919 CB VAL A 58 3.288 11.505 3.830 1.00 0.00 C ATOM 920 CG1 VAL A 58 2.939 10.027 3.727 1.00 0.00 C ATOM 921 CG2 VAL A 58 2.147 12.362 3.303 1.00 0.00 C ATOM 0 H VAL A 58 4.953 10.268 5.366 1.00 0.00 H new ATOM 0 HA VAL A 58 3.900 12.964 5.279 1.00 0.00 H new ATOM 0 HB VAL A 58 4.170 11.680 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.697 9.781 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.790 9.429 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.079 9.811 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.913 12.067 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.267 12.223 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.442 13.411 3.320 1.00 0.00 H new ATOM 931 N ALA A 59 1.962 12.743 6.825 1.00 0.00 N ATOM 932 CA ALA A 59 0.823 12.640 7.734 1.00 0.00 C ATOM 933 C ALA A 59 -0.481 13.025 7.049 1.00 0.00 C ATOM 934 O ALA A 59 -0.843 14.199 6.990 1.00 0.00 O ATOM 935 CB ALA A 59 1.035 13.493 8.982 1.00 0.00 C ATOM 0 H ALA A 59 2.345 13.683 6.728 1.00 0.00 H new ATOM 0 HA ALA A 59 0.750 11.595 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.171 13.396 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.929 13.156 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.156 14.537 8.693 1.00 0.00 H new ATOM 941 N VAL A 60 -1.188 12.020 6.543 1.00 0.00 N ATOM 942 CA VAL A 60 -2.462 12.242 5.871 1.00 0.00 C ATOM 943 C VAL A 60 -3.537 11.321 6.445 1.00 0.00 C ATOM 944 O VAL A 60 -3.530 10.115 6.193 1.00 0.00 O ATOM 945 CB VAL A 60 -2.335 12.006 4.348 1.00 0.00 C ATOM 946 CG1 VAL A 60 -1.790 10.611 4.057 1.00 0.00 C ATOM 947 CG2 VAL A 60 -3.671 12.221 3.645 1.00 0.00 C ATOM 0 H VAL A 60 -0.899 11.043 6.586 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.751 13.279 6.040 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.628 12.737 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.710 10.469 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.805 10.503 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.465 9.863 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.551 12.048 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.409 11.525 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.009 13.244 3.812 1.00 0.00 H new ATOM 957 N GLU A 61 -4.459 11.887 7.225 1.00 0.00 N ATOM 958 CA GLU A 61 -5.525 11.098 7.832 1.00 0.00 C ATOM 959 C GLU A 61 -6.861 11.835 7.778 1.00 0.00 C ATOM 960 O GLU A 61 -6.946 13.014 8.120 1.00 0.00 O ATOM 961 CB GLU A 61 -5.171 10.763 9.284 1.00 0.00 C ATOM 962 CG GLU A 61 -4.759 9.314 9.487 1.00 0.00 C ATOM 963 CD GLU A 61 -4.930 8.857 10.923 1.00 0.00 C ATOM 964 OE1 GLU A 61 -4.118 9.267 11.778 1.00 0.00 O ATOM 965 OE2 GLU A 61 -5.877 8.087 11.191 1.00 0.00 O ATOM 0 H GLU A 61 -4.487 12.882 7.449 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.625 10.174 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.359 11.413 9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.030 10.981 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.353 8.676 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.717 9.191 9.192 1.00 0.00 H new ATOM 972 N LYS A 62 -7.900 11.125 7.352 1.00 0.00 N ATOM 973 CA LYS A 62 -9.237 11.701 7.258 1.00 0.00 C ATOM 974 C LYS A 62 -10.299 10.629 7.509 1.00 0.00 C ATOM 975 O LYS A 62 -10.004 9.435 7.467 1.00 0.00 O ATOM 976 CB LYS A 62 -9.443 12.341 5.880 1.00 0.00 C ATOM 977 CG LYS A 62 -10.844 12.889 5.656 1.00 0.00 C ATOM 978 CD LYS A 62 -10.896 13.801 4.440 1.00 0.00 C ATOM 979 CE LYS A 62 -10.396 15.199 4.769 1.00 0.00 C ATOM 980 NZ LYS A 62 -9.509 15.737 3.700 1.00 0.00 N ATOM 0 H LYS A 62 -7.842 10.148 7.066 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.337 12.473 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.723 13.150 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.226 11.600 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.542 12.063 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.166 13.440 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.291 13.376 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.920 13.857 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.247 15.866 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.854 15.178 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.189 16.691 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.684 15.114 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.034 15.782 2.803 1.00 0.00 H new ATOM 994 N GLU A 63 -11.533 11.055 7.773 1.00 0.00 N ATOM 995 CA GLU A 63 -12.620 10.112 8.032 1.00 0.00 C ATOM 996 C GLU A 63 -13.408 9.808 6.754 1.00 0.00 C ATOM 997 O GLU A 63 -14.405 10.458 6.445 1.00 0.00 O ATOM 998 CB GLU A 63 -13.542 10.632 9.153 1.00 0.00 C ATOM 999 CG GLU A 63 -14.587 11.658 8.722 1.00 0.00 C ATOM 1000 CD GLU A 63 -15.974 11.058 8.601 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -16.439 10.436 9.580 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -16.596 11.209 7.529 1.00 0.00 O ATOM 0 H GLU A 63 -11.804 12.038 7.813 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.179 9.175 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.056 9.781 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.923 11.076 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.609 12.474 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.296 12.088 7.764 1.00 0.00 H new ATOM 1009 N GLU A 64 -12.946 8.808 6.011 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.604 8.418 4.768 1.00 0.00 C ATOM 1011 C GLU A 64 -13.028 7.101 4.233 1.00 0.00 C ATOM 1012 O GLU A 64 -11.848 6.811 4.436 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.441 9.527 3.722 1.00 0.00 C ATOM 1014 CG GLU A 64 -12.007 9.717 3.253 1.00 0.00 C ATOM 1015 CD GLU A 64 -11.692 11.159 2.904 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -12.596 12.012 3.025 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -10.539 11.436 2.511 1.00 0.00 O ATOM 0 H GLU A 64 -12.122 8.254 6.246 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.664 8.268 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.068 9.297 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.805 10.466 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.326 9.379 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.828 9.089 2.380 1.00 0.00 H new ATOM 1024 N ASN A 65 -13.858 6.306 3.550 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.415 5.032 2.990 1.00 0.00 C ATOM 1026 C ASN A 65 -13.187 3.996 4.089 1.00 0.00 C ATOM 1027 O ASN A 65 -14.064 3.180 4.372 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.137 5.226 2.164 1.00 0.00 C ATOM 1029 CG ASN A 65 -11.833 4.032 1.281 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -10.755 4.126 0.513 1.00 0.00 O flip ATOM 1031 ND2 ASN A 65 -12.559 3.038 1.288 1.00 0.00 N flip ATOM 0 H ASN A 65 -14.838 6.525 3.374 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.203 4.660 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.240 6.116 1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.297 5.401 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.378 3.009 1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.341 2.243 0.687 1.00 0.00 H new ATOM 1038 N SER A 66 -12.005 4.044 4.706 1.00 0.00 N ATOM 1039 CA SER A 66 -11.631 3.125 5.790 1.00 0.00 C ATOM 1040 C SER A 66 -12.357 1.775 5.695 1.00 0.00 C ATOM 1041 O SER A 66 -13.345 1.552 6.395 1.00 0.00 O ATOM 1042 CB SER A 66 -11.934 3.771 7.143 1.00 0.00 C ATOM 1043 OG SER A 66 -10.929 4.705 7.498 1.00 0.00 O ATOM 0 H SER A 66 -11.278 4.720 4.471 1.00 0.00 H new ATOM 0 HA SER A 66 -10.563 2.930 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.902 4.271 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.006 3.000 7.910 1.00 0.00 H new ATOM 0 HG SER A 66 -11.146 5.105 8.366 1.00 0.00 H new ATOM 1049 N LYS A 67 -11.858 0.868 4.851 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.480 -0.456 4.721 1.00 0.00 C ATOM 1051 C LYS A 67 -11.691 -1.491 5.521 1.00 0.00 C ATOM 1052 O LYS A 67 -10.507 -1.295 5.798 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.618 -0.905 3.251 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.337 -0.842 2.431 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.455 -2.053 2.688 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.104 -1.916 2.008 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.127 -2.925 2.509 1.00 0.00 N ATOM 0 H LYS A 67 -11.042 1.019 4.258 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.489 -0.377 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.991 -1.929 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.371 -0.283 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.584 -0.788 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.790 0.068 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.312 -2.178 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.955 -2.951 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.226 -2.032 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.711 -0.914 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.386 -2.447 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.619 -3.614 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.694 -3.419 1.703 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.351 -2.580 5.911 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.695 -3.622 6.705 1.00 0.00 C ATOM 1073 C ASP A 68 -11.649 -4.972 5.984 1.00 0.00 C ATOM 1074 O ASP A 68 -11.021 -5.912 6.474 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.408 -3.783 8.047 1.00 0.00 C ATOM 1076 CG ASP A 68 -13.914 -3.892 7.894 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.558 -2.859 7.615 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.447 -5.009 8.053 1.00 0.00 O ATOM 0 H ASP A 68 -13.330 -2.765 5.694 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.665 -3.301 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.032 -4.673 8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.171 -2.932 8.685 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.305 -5.081 4.832 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.307 -6.339 4.088 1.00 0.00 C ATOM 1085 C VAL A 69 -11.880 -6.135 2.636 1.00 0.00 C ATOM 1086 O VAL A 69 -12.221 -5.126 2.018 1.00 0.00 O ATOM 1087 CB VAL A 69 -13.695 -7.022 4.127 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.685 -6.319 3.207 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -13.571 -8.494 3.763 1.00 0.00 C ATOM 0 H VAL A 69 -12.835 -4.326 4.397 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.582 -6.989 4.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.080 -6.946 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.650 -6.823 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.801 -5.282 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.314 -6.348 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.555 -8.961 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.158 -8.587 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.911 -8.990 4.474 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.137 -7.101 2.099 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.666 -7.024 0.715 1.00 0.00 C ATOM 1101 C VAL A 70 -10.310 -8.402 0.160 1.00 0.00 C ATOM 1102 O VAL A 70 -10.031 -9.333 0.915 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.438 -6.096 0.577 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.799 -4.671 0.962 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.253 -6.597 1.406 1.00 0.00 C ATOM 0 H VAL A 70 -10.849 -7.943 2.597 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.493 -6.609 0.138 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.133 -6.108 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.922 -4.033 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.592 -4.307 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.143 -4.650 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.409 -5.918 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.536 -6.637 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.969 -7.594 1.069 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.320 -8.525 -1.170 1.00 0.00 N ATOM 1116 CA GLU A 71 -9.997 -9.795 -1.823 1.00 0.00 C ATOM 1117 C GLU A 71 -8.527 -9.864 -2.218 1.00 0.00 C ATOM 1118 O GLU A 71 -7.891 -8.850 -2.496 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.876 -10.028 -3.060 1.00 0.00 C ATOM 1120 CG GLU A 71 -12.304 -9.547 -2.884 1.00 0.00 C ATOM 1121 CD GLU A 71 -13.026 -9.365 -4.203 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -13.272 -10.379 -4.891 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -13.348 -8.209 -4.549 1.00 0.00 O ATOM 0 H GLU A 71 -10.547 -7.765 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.198 -10.582 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.431 -9.517 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.885 -11.092 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.851 -10.263 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.300 -8.601 -2.343 1.00 0.00 H new ATOM 1130 N LEU A 72 -8.001 -11.078 -2.234 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.601 -11.327 -2.586 1.00 0.00 C ATOM 1132 C LEU A 72 -6.183 -10.564 -3.847 1.00 0.00 C ATOM 1133 O LEU A 72 -6.819 -10.690 -4.894 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.385 -12.833 -2.810 1.00 0.00 C ATOM 1135 CG LEU A 72 -4.972 -13.263 -3.227 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -4.189 -13.766 -2.024 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -5.042 -14.343 -4.298 1.00 0.00 C ATOM 0 H LEU A 72 -8.527 -11.922 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.985 -10.974 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.644 -13.356 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.085 -13.169 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.456 -12.395 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.190 -14.066 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.112 -12.971 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.704 -14.622 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.032 -14.638 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.576 -15.209 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.568 -13.956 -5.171 1.00 0.00 H new ATOM 1149 N GLY A 73 -5.095 -9.794 -3.751 1.00 0.00 N ATOM 1150 CA GLY A 73 -4.609 -9.056 -4.911 1.00 0.00 C ATOM 1151 C GLY A 73 -4.694 -7.542 -4.778 1.00 0.00 C ATOM 1152 O GLY A 73 -3.881 -6.826 -5.361 1.00 0.00 O ATOM 0 H GLY A 73 -4.547 -9.669 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.571 -9.334 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.180 -9.364 -5.787 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.677 -7.046 -4.035 1.00 0.00 N ATOM 1157 CA ASP A 74 -5.842 -5.601 -3.875 1.00 0.00 C ATOM 1158 C ASP A 74 -4.865 -5.024 -2.850 1.00 0.00 C ATOM 1159 O ASP A 74 -4.379 -5.731 -1.968 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.281 -5.258 -3.477 1.00 0.00 C ATOM 1161 CG ASP A 74 -7.834 -6.189 -2.420 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.117 -6.461 -1.434 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -8.986 -6.647 -2.580 1.00 0.00 O ATOM 0 H ASP A 74 -6.365 -7.612 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.621 -5.146 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.316 -4.233 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.918 -5.300 -4.361 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.594 -3.727 -2.983 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.678 -3.020 -2.074 1.00 0.00 C ATOM 1170 C VAL A 75 -4.459 -2.023 -1.200 1.00 0.00 C ATOM 1171 O VAL A 75 -5.510 -1.537 -1.616 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.580 -2.258 -2.867 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.503 -1.705 -1.942 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -1.962 -3.162 -3.924 1.00 0.00 C ATOM 0 H VAL A 75 -4.995 -3.138 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.198 -3.765 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.056 -1.412 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.752 -1.179 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.955 -1.015 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.031 -2.526 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.195 -2.612 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.512 -4.030 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.735 -3.492 -4.618 1.00 0.00 H new ATOM 1184 N ALA A 76 -3.964 -1.721 0.010 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.660 -0.789 0.895 1.00 0.00 C ATOM 1186 C ALA A 76 -3.694 -0.054 1.820 1.00 0.00 C ATOM 1187 O ALA A 76 -2.647 -0.584 2.188 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.710 -1.523 1.719 1.00 0.00 C ATOM 0 H ALA A 76 -3.098 -2.104 0.389 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.149 -0.046 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.219 -0.815 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.436 -1.988 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.227 -2.292 2.322 1.00 0.00 H new ATOM 1194 N TYR A 77 -4.061 1.170 2.193 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.238 1.980 3.080 1.00 0.00 C ATOM 1196 C TYR A 77 -3.861 2.046 4.474 1.00 0.00 C ATOM 1197 O TYR A 77 -5.074 2.197 4.616 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.066 3.389 2.490 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.205 4.511 3.495 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -2.223 4.732 4.448 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -4.314 5.347 3.488 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -2.340 5.752 5.366 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -4.438 6.373 4.405 1.00 0.00 C ATOM 1204 CZ TYR A 77 -3.447 6.571 5.342 1.00 0.00 C ATOM 1205 OH TYR A 77 -3.564 7.591 6.258 1.00 0.00 O ATOM 0 H TYR A 77 -4.925 1.621 1.893 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.255 1.519 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.083 3.456 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.804 3.531 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.352 4.094 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.091 5.193 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.566 5.909 6.103 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.306 7.016 4.388 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.571 8.452 5.790 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.022 1.931 5.499 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.491 1.978 6.882 1.00 0.00 C ATOM 1217 C TRP A 78 -3.744 3.419 7.324 1.00 0.00 C ATOM 1218 O TRP A 78 -2.803 4.185 7.522 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.461 1.324 7.809 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.038 0.854 9.109 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.318 1.029 9.546 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.357 0.133 10.142 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.476 0.464 10.787 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.286 -0.093 11.175 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.051 -0.343 10.294 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -2.951 -0.775 12.342 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -0.719 -1.019 11.453 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -1.666 -1.230 12.463 1.00 0.00 C ATOM 0 H TRP A 78 -2.015 1.805 5.399 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.431 1.429 6.941 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.008 0.477 7.295 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.663 2.038 8.012 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.095 1.538 8.995 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.339 0.460 11.331 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.315 -0.185 9.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.679 -0.939 13.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.287 -1.390 11.582 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.376 -1.763 13.356 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.019 3.786 7.479 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.366 5.141 7.897 1.00 0.00 C ATOM 1241 C ILE A 79 -4.841 5.427 9.308 1.00 0.00 C ATOM 1242 O ILE A 79 -3.954 6.262 9.474 1.00 0.00 O ATOM 1243 CB ILE A 79 -6.892 5.399 7.791 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.231 5.876 6.371 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.370 6.411 8.831 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.392 6.848 6.291 1.00 0.00 C ATOM 0 H ILE A 79 -5.817 3.170 7.323 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.879 5.836 7.213 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.414 4.464 7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.348 6.349 5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.459 5.006 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.444 6.564 8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.156 6.034 9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.852 7.358 8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.559 7.130 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.290 6.375 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.162 7.738 6.876 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.358 4.735 10.347 1.00 0.00 N ATOM 1259 CA PRO A 80 -4.892 4.942 11.723 1.00 0.00 C ATOM 1260 C PRO A 80 -3.392 4.687 11.856 1.00 0.00 C ATOM 1261 O PRO A 80 -2.968 3.610 12.272 1.00 0.00 O ATOM 1262 CB PRO A 80 -5.678 3.910 12.539 1.00 0.00 C ATOM 1263 CG PRO A 80 -6.860 3.567 11.700 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.413 3.708 10.273 1.00 0.00 C ATOM 0 HA PRO A 80 -5.051 5.968 12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.072 3.028 12.746 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.984 4.319 13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.201 2.552 11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.696 4.233 11.914 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.031 2.767 9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.232 4.019 9.624 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.594 5.684 11.490 1.00 0.00 N ATOM 1273 CA GLY A 81 -1.150 5.550 11.564 1.00 0.00 C ATOM 1274 C GLY A 81 -0.446 6.102 10.332 1.00 0.00 C ATOM 1275 O GLY A 81 0.782 6.175 10.300 1.00 0.00 O ATOM 0 H GLY A 81 -2.922 6.585 11.142 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.786 6.070 12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.892 4.498 11.684 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.220 6.491 9.314 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.645 7.041 8.079 1.00 0.00 C ATOM 1281 C LYS A 82 0.424 6.107 7.511 1.00 0.00 C ATOM 1282 O LYS A 82 1.442 6.557 6.985 1.00 0.00 O ATOM 1283 CB LYS A 82 -0.030 8.424 8.330 1.00 0.00 C ATOM 1284 CG LYS A 82 -0.681 9.215 9.460 1.00 0.00 C ATOM 1285 CD LYS A 82 0.210 9.256 10.689 1.00 0.00 C ATOM 1286 CE LYS A 82 -0.528 9.809 11.897 1.00 0.00 C ATOM 1287 NZ LYS A 82 -0.155 11.225 12.174 1.00 0.00 N ATOM 0 H LYS A 82 -2.239 6.437 9.318 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.455 7.137 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.029 8.300 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.095 9.008 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.887 10.231 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.639 8.764 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.571 8.252 10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.086 9.872 10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.603 9.743 11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.305 9.197 12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.679 11.566 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.866 11.285 12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.391 11.814 11.350 1.00 0.00 H new ATOM 1301 N ALA A 83 0.187 4.807 7.635 1.00 0.00 N ATOM 1302 CA ALA A 83 1.131 3.803 7.147 1.00 0.00 C ATOM 1303 C ALA A 83 0.534 2.951 6.023 1.00 0.00 C ATOM 1304 O ALA A 83 -0.600 2.483 6.122 1.00 0.00 O ATOM 1305 CB ALA A 83 1.574 2.920 8.307 1.00 0.00 C ATOM 0 H ALA A 83 -0.651 4.421 8.069 1.00 0.00 H new ATOM 0 HA ALA A 83 1.993 4.323 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.278 2.170 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.056 3.534 9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.705 2.423 8.739 1.00 0.00 H new ATOM 1311 N ILE A 84 1.315 2.738 4.959 1.00 0.00 N ATOM 1312 CA ILE A 84 0.873 1.926 3.821 1.00 0.00 C ATOM 1313 C ILE A 84 1.212 0.455 4.053 1.00 0.00 C ATOM 1314 O ILE A 84 2.175 0.144 4.750 1.00 0.00 O ATOM 1315 CB ILE A 84 1.530 2.378 2.499 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.578 3.907 2.401 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.782 1.790 1.310 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.233 4.411 1.132 1.00 0.00 C ATOM 0 H ILE A 84 2.257 3.117 4.862 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.206 2.059 3.739 1.00 0.00 H new ATOM 0 HB ILE A 84 2.556 2.009 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.562 4.299 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.119 4.301 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.256 2.117 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.807 0.702 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.253 2.130 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.232 5.501 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.260 4.049 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.679 4.046 0.267 1.00 0.00 H new ATOM 1330 N CYS A 85 0.420 -0.453 3.478 1.00 0.00 N ATOM 1331 CA CYS A 85 0.671 -1.883 3.657 1.00 0.00 C ATOM 1332 C CYS A 85 0.366 -2.699 2.395 1.00 0.00 C ATOM 1333 O CYS A 85 -0.415 -2.285 1.537 1.00 0.00 O ATOM 1334 CB CYS A 85 -0.141 -2.405 4.850 1.00 0.00 C ATOM 1335 SG CYS A 85 -0.147 -4.205 5.041 1.00 0.00 S ATOM 0 H CYS A 85 -0.386 -0.229 2.895 1.00 0.00 H new ATOM 0 HA CYS A 85 1.735 -2.008 3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.254 -1.959 5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.171 -2.062 4.748 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.290 -4.680 4.644 1.00 0.00 H new ATOM 1341 N LEU A 86 0.997 -3.874 2.312 1.00 0.00 N ATOM 1342 CA LEU A 86 0.819 -4.798 1.179 1.00 0.00 C ATOM 1343 C LEU A 86 0.052 -6.041 1.623 1.00 0.00 C ATOM 1344 O LEU A 86 0.006 -6.357 2.812 1.00 0.00 O ATOM 1345 CB LEU A 86 2.185 -5.226 0.611 1.00 0.00 C ATOM 1346 CG LEU A 86 2.383 -4.998 -0.890 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.794 -4.502 -1.174 1.00 0.00 C ATOM 1348 CD2 LEU A 86 2.116 -6.281 -1.662 1.00 0.00 C ATOM 0 H LEU A 86 1.644 -4.214 3.023 1.00 0.00 H new ATOM 0 HA LEU A 86 0.254 -4.278 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.966 -4.687 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.329 -6.286 0.820 1.00 0.00 H new ATOM 0 HG LEU A 86 1.674 -4.238 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.916 -4.346 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.962 -3.562 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.516 -5.243 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.261 -6.102 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.805 -7.057 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.091 -6.605 -1.485 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.541 -6.752 0.666 1.00 0.00 N ATOM 1361 CA PHE A 87 -1.290 -7.965 0.981 1.00 0.00 C ATOM 1362 C PHE A 87 -0.991 -9.086 -0.005 1.00 0.00 C ATOM 1363 O PHE A 87 -0.975 -8.880 -1.217 1.00 0.00 O ATOM 1364 CB PHE A 87 -2.790 -7.683 0.997 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.148 -6.470 1.794 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.016 -6.464 3.173 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.611 -5.334 1.163 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -3.341 -5.341 3.907 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -3.939 -4.211 1.889 1.00 0.00 C ATOM 1370 CZ PHE A 87 -3.804 -4.211 3.263 1.00 0.00 C ATOM 0 H PHE A 87 -0.518 -6.512 -0.325 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.972 -8.290 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.141 -7.555 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.312 -8.547 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.655 -7.347 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.717 -5.325 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.233 -5.346 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.302 -3.329 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.060 -3.330 3.832 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.769 -10.276 0.535 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.483 -11.454 -0.272 1.00 0.00 C ATOM 1382 C PHE A 88 -0.533 -12.705 0.601 1.00 0.00 C ATOM 1383 O PHE A 88 0.236 -13.647 0.408 1.00 0.00 O ATOM 1384 CB PHE A 88 0.887 -11.324 -0.946 1.00 0.00 C ATOM 1385 CG PHE A 88 0.808 -11.047 -2.422 1.00 0.00 C ATOM 1386 CD1 PHE A 88 0.581 -12.078 -3.322 1.00 0.00 C ATOM 1387 CD2 PHE A 88 0.957 -9.758 -2.908 1.00 0.00 C ATOM 1388 CE1 PHE A 88 0.507 -11.825 -4.680 1.00 0.00 C ATOM 1389 CE2 PHE A 88 0.883 -9.501 -4.264 1.00 0.00 C ATOM 1390 CZ PHE A 88 0.657 -10.536 -5.151 1.00 0.00 C ATOM 0 H PHE A 88 -0.782 -10.452 1.540 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.239 -11.538 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.445 -10.522 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.450 -12.244 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.461 -13.088 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.133 -8.945 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.332 -12.636 -5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.002 -8.492 -4.630 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.598 -10.337 -6.211 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.450 -12.698 1.567 1.00 0.00 N ATOM 1401 CA GLY A 89 -1.596 -13.823 2.470 1.00 0.00 C ATOM 1402 C GLY A 89 -2.256 -13.429 3.781 1.00 0.00 C ATOM 1403 O GLY A 89 -3.024 -12.468 3.832 1.00 0.00 O ATOM 0 H GLY A 89 -2.096 -11.928 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.189 -14.599 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.615 -14.252 2.674 1.00 0.00 H new ATOM 1407 N LYS A 90 -1.962 -14.178 4.840 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.535 -13.913 6.159 1.00 0.00 C ATOM 1409 C LYS A 90 -2.313 -12.469 6.602 1.00 0.00 C ATOM 1410 O LYS A 90 -1.857 -11.624 5.834 1.00 0.00 O ATOM 1411 CB LYS A 90 -1.941 -14.862 7.209 1.00 0.00 C ATOM 1412 CG LYS A 90 -0.522 -14.515 7.634 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.500 -13.748 8.948 1.00 0.00 C ATOM 1414 CE LYS A 90 0.313 -14.481 10.003 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.217 -13.824 11.335 1.00 0.00 N ATOM 0 H LYS A 90 -1.328 -14.977 4.811 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.608 -14.083 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.583 -14.858 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.951 -15.877 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.061 -15.430 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.045 -13.919 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.078 -12.756 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.520 -13.606 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.037 -15.510 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.357 -14.522 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.785 -14.355 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.575 -12.850 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.776 -13.808 11.643 1.00 0.00 H new ATOM 1429 N THR A 91 -2.647 -12.214 7.861 1.00 0.00 N ATOM 1430 CA THR A 91 -2.502 -10.898 8.465 1.00 0.00 C ATOM 1431 C THR A 91 -2.584 -11.038 9.984 1.00 0.00 C ATOM 1432 O THR A 91 -2.644 -12.156 10.496 1.00 0.00 O ATOM 1433 CB THR A 91 -3.595 -9.959 7.943 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.443 -10.630 7.029 1.00 0.00 O ATOM 1435 CG2 THR A 91 -3.045 -8.735 7.243 1.00 0.00 C ATOM 0 H THR A 91 -3.028 -12.918 8.493 1.00 0.00 H new ATOM 0 HA THR A 91 -1.535 -10.470 8.199 1.00 0.00 H new ATOM 0 HB THR A 91 -4.146 -9.639 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.189 -11.040 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.870 -8.112 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.426 -8.166 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.442 -9.044 6.389 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.589 -9.925 10.741 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.663 -9.984 12.203 1.00 0.00 C ATOM 1445 C PRO A 92 -3.716 -10.979 12.697 1.00 0.00 C ATOM 1446 O PRO A 92 -3.620 -11.488 13.813 1.00 0.00 O ATOM 1447 CB PRO A 92 -3.041 -8.555 12.584 1.00 0.00 C ATOM 1448 CG PRO A 92 -2.420 -7.721 11.518 1.00 0.00 C ATOM 1449 CD PRO A 92 -2.520 -8.532 10.251 1.00 0.00 C ATOM 0 HA PRO A 92 -1.731 -10.328 12.651 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.123 -8.423 12.615 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.660 -8.291 13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.940 -6.768 11.414 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.381 -7.493 11.755 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.404 -8.265 9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.656 -8.376 9.605 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.716 -11.257 11.859 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.774 -12.194 12.222 1.00 0.00 C ATOM 1459 C ILE A 93 -6.214 -13.049 11.031 1.00 0.00 C ATOM 1460 O ILE A 93 -7.329 -12.896 10.527 1.00 0.00 O ATOM 1461 CB ILE A 93 -7.006 -11.458 12.788 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.583 -10.446 13.854 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -8.000 -12.457 13.364 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -6.421 -9.040 13.320 1.00 0.00 C ATOM 0 H ILE A 93 -4.813 -10.848 10.930 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.355 -12.845 12.989 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.490 -10.917 11.975 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.325 -10.440 14.653 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.641 -10.769 14.297 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.864 -11.923 13.760 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.324 -13.141 12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.525 -13.022 14.165 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.120 -8.376 14.130 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.658 -9.032 12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.368 -8.698 12.903 1.00 0.00 H new ATOM 1476 N SER A 94 -5.346 -13.960 10.592 1.00 0.00 N ATOM 1477 CA SER A 94 -5.668 -14.846 9.472 1.00 0.00 C ATOM 1478 C SER A 94 -6.908 -15.682 9.794 1.00 0.00 C ATOM 1479 O SER A 94 -8.005 -15.403 9.312 1.00 0.00 O ATOM 1480 CB SER A 94 -4.492 -15.773 9.165 1.00 0.00 C ATOM 1481 OG SER A 94 -3.400 -15.531 10.037 1.00 0.00 O ATOM 0 H SER A 94 -4.419 -14.104 10.992 1.00 0.00 H new ATOM 0 HA SER A 94 -5.870 -14.228 8.597 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.811 -16.811 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.174 -15.629 8.132 1.00 0.00 H new ATOM 0 HG SER A 94 -3.618 -15.861 10.934 1.00 0.00 H new ATOM 1533 N ILE A 98 -8.639 -12.969 5.673 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.542 -12.015 5.758 1.00 0.00 C ATOM 1535 C ILE A 98 -8.021 -10.680 6.309 1.00 0.00 C ATOM 1536 O ILE A 98 -8.649 -9.894 5.600 1.00 0.00 O ATOM 1537 CB ILE A 98 -6.884 -11.790 4.380 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -6.246 -13.082 3.877 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -5.838 -10.683 4.440 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -5.738 -12.969 2.459 1.00 0.00 C ATOM 0 HA ILE A 98 -6.802 -12.439 6.437 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.666 -11.483 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.420 -13.354 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.977 -13.889 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.393 -10.549 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.311 -9.752 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.061 -10.955 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.295 -13.917 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.567 -12.726 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.985 -12.182 2.404 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.703 -10.421 7.570 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.087 -9.167 8.201 1.00 0.00 C ATOM 1554 C ARG A 99 -6.876 -8.240 8.290 1.00 0.00 C ATOM 1555 O ARG A 99 -6.040 -8.383 9.183 1.00 0.00 O ATOM 1556 CB ARG A 99 -8.657 -9.424 9.598 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.094 -9.918 9.587 1.00 0.00 C ATOM 1558 CD ARG A 99 -10.805 -9.597 10.892 1.00 0.00 C ATOM 1559 NE ARG A 99 -10.927 -8.157 11.108 1.00 0.00 N ATOM 1560 CZ ARG A 99 -11.791 -7.606 11.959 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -12.608 -8.371 12.674 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -11.838 -6.289 12.095 1.00 0.00 N ATOM 0 H ARG A 99 -7.183 -11.059 8.173 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.858 -8.691 7.595 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.033 -10.159 10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.603 -8.503 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.631 -9.459 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.108 -10.995 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.797 -10.048 10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.258 -10.043 11.722 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.315 -7.538 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.576 -9.385 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.268 -7.944 13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.213 -5.697 11.548 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.500 -5.867 12.747 1.00 0.00 H new ATOM 1576 N PRO A 100 -6.759 -7.281 7.356 1.00 0.00 N ATOM 1577 CA PRO A 100 -5.635 -6.339 7.330 1.00 0.00 C ATOM 1578 C PRO A 100 -5.684 -5.333 8.475 1.00 0.00 C ATOM 1579 O PRO A 100 -4.648 -4.882 8.959 1.00 0.00 O ATOM 1580 CB PRO A 100 -5.799 -5.636 5.981 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.256 -5.720 5.695 1.00 0.00 C ATOM 1582 CD PRO A 100 -7.701 -7.045 6.244 1.00 0.00 C ATOM 0 HA PRO A 100 -4.676 -6.844 7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.463 -4.600 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.213 -6.126 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.796 -4.899 6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.449 -5.655 4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.734 -7.011 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.643 -7.833 5.493 1.00 0.00 H new ATOM 1590 N ALA A 101 -6.895 -4.983 8.901 1.00 0.00 N ATOM 1591 CA ALA A 101 -7.071 -4.024 9.993 1.00 0.00 C ATOM 1592 C ALA A 101 -8.552 -3.770 10.257 1.00 0.00 C ATOM 1593 O ALA A 101 -9.406 -4.561 9.856 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.354 -2.720 9.666 1.00 0.00 C ATOM 0 H ALA A 101 -7.765 -5.345 8.511 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.634 -4.446 10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.491 -2.014 10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.290 -2.914 9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.767 -2.298 8.750 1.00 0.00 H new ATOM 1600 N SER A 102 -8.852 -2.668 10.937 1.00 0.00 N ATOM 1601 CA SER A 102 -10.231 -2.321 11.254 1.00 0.00 C ATOM 1602 C SER A 102 -10.699 -1.094 10.470 1.00 0.00 C ATOM 1603 O SER A 102 -11.883 -0.754 10.497 1.00 0.00 O ATOM 1604 CB SER A 102 -10.385 -2.067 12.756 1.00 0.00 C ATOM 1605 OG SER A 102 -9.200 -2.403 13.457 1.00 0.00 O ATOM 0 H SER A 102 -8.159 -2.002 11.278 1.00 0.00 H new ATOM 0 HA SER A 102 -10.856 -3.166 10.964 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.627 -1.018 12.927 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.218 -2.653 13.143 1.00 0.00 H new ATOM 0 HG SER A 102 -9.325 -2.230 14.413 1.00 0.00 H new ATOM 1611 N ALA A 103 -9.778 -0.423 9.777 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.141 0.764 9.010 1.00 0.00 C ATOM 1613 C ALA A 103 -9.041 1.192 8.039 1.00 0.00 C ATOM 1614 O ALA A 103 -8.386 2.215 8.246 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.474 1.907 9.956 1.00 0.00 C ATOM 0 H ALA A 103 -8.791 -0.677 9.732 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.016 0.509 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.744 2.791 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.311 1.620 10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.606 2.131 10.576 1.00 0.00 H new ATOM 1621 N VAL A 104 -8.848 0.423 6.969 1.00 0.00 N ATOM 1622 CA VAL A 104 -7.828 0.766 5.969 1.00 0.00 C ATOM 1623 C VAL A 104 -8.440 1.002 4.590 1.00 0.00 C ATOM 1624 O VAL A 104 -9.381 0.322 4.191 1.00 0.00 O ATOM 1625 CB VAL A 104 -6.707 -0.297 5.882 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -6.080 -0.510 7.248 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.228 -1.614 5.330 1.00 0.00 C ATOM 0 H VAL A 104 -9.373 -0.429 6.770 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.377 1.698 6.308 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.948 0.074 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.293 -1.260 7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.655 0.429 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.842 -0.852 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.413 -2.337 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.015 -1.996 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.630 -1.455 4.329 1.00 0.00 H new ATOM 1637 N ASN A 105 -7.902 2.001 3.885 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.392 2.382 2.559 1.00 0.00 C ATOM 1639 C ASN A 105 -7.797 1.529 1.444 1.00 0.00 C ATOM 1640 O ASN A 105 -6.656 1.081 1.531 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.050 3.850 2.278 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.253 4.745 3.485 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -7.548 5.740 3.656 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -9.216 4.398 4.328 1.00 0.00 N ATOM 0 H ASN A 105 -7.119 2.565 4.216 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.471 2.225 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.013 3.920 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.669 4.211 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.396 4.964 5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.776 3.565 4.147 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.567 1.355 0.371 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.106 0.604 -0.791 1.00 0.00 C ATOM 1653 C VAL A 106 -7.320 1.539 -1.705 1.00 0.00 C ATOM 1654 O VAL A 106 -7.896 2.251 -2.528 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.265 -0.035 -1.598 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.162 -1.553 -1.573 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.627 0.421 -1.092 1.00 0.00 C ATOM 0 H VAL A 106 -9.514 1.725 0.284 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.482 -0.210 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.171 0.304 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.984 -1.983 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.214 -1.861 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.214 -1.904 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.412 -0.050 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.741 0.135 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.705 1.504 -1.183 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.004 1.554 -1.532 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.129 2.423 -2.307 1.00 0.00 C ATOM 1669 C ILE A 107 -4.825 1.866 -3.700 1.00 0.00 C ATOM 1670 O ILE A 107 -3.803 2.199 -4.299 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.805 2.655 -1.556 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.081 3.873 -2.138 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -2.931 1.405 -1.620 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -1.574 3.775 -2.094 1.00 0.00 C ATOM 0 H ILE A 107 -5.516 0.968 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.662 3.365 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.019 2.856 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.395 4.009 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.392 4.763 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.999 1.585 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.458 0.569 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.711 1.167 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.138 4.676 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.246 3.672 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.249 2.906 -2.666 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.710 1.024 -4.213 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.502 0.452 -5.528 1.00 0.00 C ATOM 1688 C GLY A 108 -5.179 -1.027 -5.470 1.00 0.00 C ATOM 1689 O GLY A 108 -5.625 -1.731 -4.564 1.00 0.00 O ATOM 0 H GLY A 108 -6.566 0.727 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.397 0.602 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.689 0.980 -6.026 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.402 -1.504 -6.440 1.00 0.00 N ATOM 1694 CA ARG A 109 -4.027 -2.914 -6.487 1.00 0.00 C ATOM 1695 C ARG A 109 -2.745 -3.118 -7.289 1.00 0.00 C ATOM 1696 O ARG A 109 -2.281 -2.215 -7.985 1.00 0.00 O ATOM 1697 CB ARG A 109 -5.156 -3.748 -7.103 1.00 0.00 C ATOM 1698 CG ARG A 109 -6.539 -3.416 -6.563 1.00 0.00 C ATOM 1699 CD ARG A 109 -7.608 -4.268 -7.224 1.00 0.00 C ATOM 1700 NE ARG A 109 -7.714 -5.594 -6.619 1.00 0.00 N ATOM 1701 CZ ARG A 109 -8.777 -6.385 -6.747 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -9.825 -5.990 -7.460 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -8.792 -7.574 -6.161 1.00 0.00 N ATOM 0 H ARG A 109 -4.022 -0.939 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.852 -3.244 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.154 -3.601 -8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.952 -4.804 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.559 -3.576 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.755 -2.361 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.570 -3.760 -7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.381 -4.372 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.927 -5.933 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.818 -5.076 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.637 -6.600 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.989 -7.882 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.606 -8.180 -6.259 1.00 0.00 H new ATOM 1717 N ILE A 110 -2.182 -4.321 -7.189 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.960 -4.663 -7.907 1.00 0.00 C ATOM 1719 C ILE A 110 -1.293 -5.361 -9.223 1.00 0.00 C ATOM 1720 O ILE A 110 -1.830 -6.469 -9.225 1.00 0.00 O ATOM 1721 CB ILE A 110 -0.055 -5.586 -7.062 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.214 -4.963 -5.686 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.255 -5.863 -7.789 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.458 -5.688 -4.536 1.00 0.00 C ATOM 0 H ILE A 110 -2.556 -5.076 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.427 -3.734 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.573 -6.534 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.290 -4.945 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.125 -3.927 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.879 -6.515 -7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.046 -6.349 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.778 -4.923 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.218 -5.185 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.538 -5.683 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.102 -6.717 -4.497 1.00 0.00 H new ATOM 1736 N VAL A 111 -0.982 -4.712 -10.341 1.00 0.00 N ATOM 1737 CA VAL A 111 -1.266 -5.289 -11.655 1.00 0.00 C ATOM 1738 C VAL A 111 -0.016 -5.912 -12.280 1.00 0.00 C ATOM 1739 O VAL A 111 0.213 -7.115 -12.150 1.00 0.00 O ATOM 1740 CB VAL A 111 -1.870 -4.254 -12.637 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -3.388 -4.338 -12.630 1.00 0.00 C ATOM 1742 CG2 VAL A 111 -1.407 -2.839 -12.310 1.00 0.00 C ATOM 0 H VAL A 111 -0.537 -3.794 -10.367 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.007 -6.070 -11.483 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.512 -4.495 -13.638 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.796 -3.604 -13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.698 -5.338 -12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.759 -4.132 -11.626 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.849 -2.139 -13.018 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.719 -2.578 -11.299 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.320 -2.787 -12.379 1.00 0.00 H new ATOM 1816 N LEU A 117 6.134 -10.280 -2.571 1.00 0.00 N ATOM 1817 CA LEU A 117 6.943 -9.464 -1.668 1.00 0.00 C ATOM 1818 C LEU A 117 6.786 -9.909 -0.215 1.00 0.00 C ATOM 1819 O LEU A 117 7.745 -9.880 0.556 1.00 0.00 O ATOM 1820 CB LEU A 117 6.567 -7.984 -1.796 1.00 0.00 C ATOM 1821 CG LEU A 117 7.233 -7.066 -0.761 1.00 0.00 C ATOM 1822 CD1 LEU A 117 7.815 -5.821 -1.417 1.00 0.00 C ATOM 1823 CD2 LEU A 117 6.246 -6.677 0.332 1.00 0.00 C ATOM 0 HA LEU A 117 7.985 -9.598 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.835 -7.639 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.485 -7.888 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 117 8.053 -7.623 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.279 -5.192 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.564 -6.114 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.019 -5.264 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.740 -6.027 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.401 -6.151 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.890 -7.575 0.837 1.00 0.00 H new ATOM 1835 N LYS A 118 5.573 -10.313 0.153 1.00 0.00 N ATOM 1836 CA LYS A 118 5.294 -10.760 1.522 1.00 0.00 C ATOM 1837 C LYS A 118 6.409 -11.656 2.071 1.00 0.00 C ATOM 1838 O LYS A 118 6.616 -11.723 3.283 1.00 0.00 O ATOM 1839 CB LYS A 118 3.956 -11.508 1.591 1.00 0.00 C ATOM 1840 CG LYS A 118 3.766 -12.553 0.499 1.00 0.00 C ATOM 1841 CD LYS A 118 4.443 -13.869 0.854 1.00 0.00 C ATOM 1842 CE LYS A 118 3.457 -14.866 1.443 1.00 0.00 C ATOM 1843 NZ LYS A 118 4.149 -16.015 2.091 1.00 0.00 N ATOM 0 H LYS A 118 4.768 -10.341 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 118 5.240 -9.864 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.875 -11.996 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.144 -10.783 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 118 2.701 -12.723 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.173 -12.176 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.902 -14.295 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.245 -13.685 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.826 -14.363 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.800 -15.235 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.442 -16.671 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.732 -16.511 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.757 -15.666 2.859 1.00 0.00 H new ATOM 1857 N GLY A 119 7.124 -12.343 1.180 1.00 0.00 N ATOM 1858 CA GLY A 119 8.203 -13.218 1.611 1.00 0.00 C ATOM 1859 C GLY A 119 9.532 -12.494 1.752 1.00 0.00 C ATOM 1860 O GLY A 119 10.589 -13.070 1.493 1.00 0.00 O ATOM 0 H GLY A 119 6.976 -12.309 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.938 -13.669 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.313 -14.032 0.894 1.00 0.00 H new ATOM 1864 N VAL A 120 9.477 -11.232 2.162 1.00 0.00 N ATOM 1865 CA VAL A 120 10.683 -10.424 2.339 1.00 0.00 C ATOM 1866 C VAL A 120 11.370 -10.728 3.671 1.00 0.00 C ATOM 1867 O VAL A 120 10.722 -11.150 4.629 1.00 0.00 O ATOM 1868 CB VAL A 120 10.378 -8.913 2.287 1.00 0.00 C ATOM 1869 CG1 VAL A 120 10.240 -8.440 0.849 1.00 0.00 C ATOM 1870 CG2 VAL A 120 9.131 -8.576 3.097 1.00 0.00 C ATOM 0 H VAL A 120 8.609 -10.743 2.379 1.00 0.00 H new ATOM 0 HA VAL A 120 11.344 -10.687 1.513 1.00 0.00 H new ATOM 0 HB VAL A 120 11.218 -8.384 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.025 -7.371 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.170 -8.629 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.426 -8.980 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.940 -7.504 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.276 -9.118 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.284 -8.865 4.137 1.00 0.00 H new ATOM 1880 N ALA A 121 12.685 -10.499 3.734 1.00 0.00 N ATOM 1881 CA ALA A 121 13.442 -10.739 4.959 1.00 0.00 C ATOM 1882 C ALA A 121 13.130 -9.656 5.990 1.00 0.00 C ATOM 1883 O ALA A 121 12.863 -8.513 5.630 1.00 0.00 O ATOM 1884 CB ALA A 121 14.938 -10.783 4.661 1.00 0.00 C ATOM 0 H ALA A 121 13.242 -10.150 2.954 1.00 0.00 H new ATOM 0 HA ALA A 121 13.148 -11.705 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.488 -10.963 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.145 -11.586 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.252 -9.832 4.231 1.00 0.00 H new ATOM 1890 N ASP A 122 13.142 -10.024 7.269 1.00 0.00 N ATOM 1891 CA ASP A 122 12.833 -9.079 8.340 1.00 0.00 C ATOM 1892 C ASP A 122 13.689 -7.815 8.274 1.00 0.00 C ATOM 1893 O ASP A 122 14.907 -7.877 8.105 1.00 0.00 O ATOM 1894 CB ASP A 122 12.997 -9.747 9.705 1.00 0.00 C ATOM 1895 CG ASP A 122 14.446 -10.040 10.044 1.00 0.00 C ATOM 1896 OD1 ASP A 122 15.178 -10.519 9.153 1.00 0.00 O ATOM 1897 OD2 ASP A 122 14.849 -9.789 11.200 1.00 0.00 O ATOM 0 H ASP A 122 13.362 -10.967 7.589 1.00 0.00 H new ATOM 0 HA ASP A 122 11.795 -8.776 8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.572 -9.102 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.430 -10.677 9.720 1.00 0.00 H new ATOM 1902 N GLY A 123 13.029 -6.670 8.437 1.00 0.00 N ATOM 1903 CA GLY A 123 13.715 -5.385 8.426 1.00 0.00 C ATOM 1904 C GLY A 123 14.513 -5.114 7.163 1.00 0.00 C ATOM 1905 O GLY A 123 15.644 -5.579 7.023 1.00 0.00 O ATOM 0 H GLY A 123 12.021 -6.609 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.978 -4.592 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.386 -5.337 9.283 1.00 0.00 H new ATOM 1909 N GLU A 124 13.930 -4.338 6.249 1.00 0.00 N ATOM 1910 CA GLU A 124 14.602 -3.979 4.998 1.00 0.00 C ATOM 1911 C GLU A 124 14.243 -2.556 4.573 1.00 0.00 C ATOM 1912 O GLU A 124 13.179 -2.043 4.918 1.00 0.00 O ATOM 1913 CB GLU A 124 14.234 -4.964 3.884 1.00 0.00 C ATOM 1914 CG GLU A 124 14.017 -6.388 4.367 1.00 0.00 C ATOM 1915 CD GLU A 124 15.311 -7.068 4.769 1.00 0.00 C ATOM 1916 OE1 GLU A 124 16.366 -6.725 4.195 1.00 0.00 O ATOM 1917 OE2 GLU A 124 15.270 -7.945 5.658 1.00 0.00 O ATOM 0 H GLU A 124 12.994 -3.946 6.351 1.00 0.00 H new ATOM 0 HA GLU A 124 15.677 -4.029 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.327 -4.616 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.026 -4.962 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.335 -6.380 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.536 -6.967 3.578 1.00 0.00 H new ATOM 1924 N SER A 125 15.146 -1.924 3.825 1.00 0.00 N ATOM 1925 CA SER A 125 14.935 -0.557 3.352 1.00 0.00 C ATOM 1926 C SER A 125 13.761 -0.475 2.382 1.00 0.00 C ATOM 1927 O SER A 125 13.379 -1.471 1.768 1.00 0.00 O ATOM 1928 CB SER A 125 16.204 -0.030 2.682 1.00 0.00 C ATOM 1929 OG SER A 125 16.106 1.362 2.426 1.00 0.00 O ATOM 0 H SER A 125 16.032 -2.337 3.533 1.00 0.00 H new ATOM 0 HA SER A 125 14.699 0.062 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.065 -0.226 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.374 -0.564 1.747 1.00 0.00 H new ATOM 0 HG SER A 125 16.931 1.675 1.999 1.00 0.00 H new ATOM 1935 N VAL A 126 13.202 0.725 2.245 1.00 0.00 N ATOM 1936 CA VAL A 126 12.070 0.961 1.349 1.00 0.00 C ATOM 1937 C VAL A 126 12.112 2.374 0.771 1.00 0.00 C ATOM 1938 O VAL A 126 12.231 3.348 1.512 1.00 0.00 O ATOM 1939 CB VAL A 126 10.718 0.773 2.079 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.551 0.907 1.113 1.00 0.00 C ATOM 1941 CG2 VAL A 126 10.661 -0.563 2.798 1.00 0.00 C ATOM 0 H VAL A 126 13.517 1.555 2.747 1.00 0.00 H new ATOM 0 HA VAL A 126 12.152 0.229 0.545 1.00 0.00 H new ATOM 0 HB VAL A 126 10.637 1.563 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.614 0.770 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.567 1.898 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.635 0.149 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.699 -0.665 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.780 -1.370 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.463 -0.614 3.535 1.00 0.00 H new ATOM 1951 N VAL A 127 11.997 2.487 -0.553 1.00 0.00 N ATOM 1952 CA VAL A 127 12.007 3.793 -1.204 1.00 0.00 C ATOM 1953 C VAL A 127 10.754 3.977 -2.059 1.00 0.00 C ATOM 1954 O VAL A 127 10.624 3.378 -3.128 1.00 0.00 O ATOM 1955 CB VAL A 127 13.259 3.998 -2.082 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.523 4.009 -1.230 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.340 2.931 -3.164 1.00 0.00 C ATOM 0 H VAL A 127 11.897 1.696 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 127 12.025 4.540 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 127 13.176 4.968 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.393 4.155 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.466 4.821 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.615 3.059 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 127 14.230 3.095 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.393 1.946 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.454 2.987 -3.797 1.00 0.00 H new ATOM 1967 N VAL A 128 9.834 4.801 -1.573 1.00 0.00 N ATOM 1968 CA VAL A 128 8.579 5.065 -2.276 1.00 0.00 C ATOM 1969 C VAL A 128 8.777 6.127 -3.364 1.00 0.00 C ATOM 1970 O VAL A 128 9.319 7.198 -3.093 1.00 0.00 O ATOM 1971 CB VAL A 128 7.472 5.558 -1.308 1.00 0.00 C ATOM 1972 CG1 VAL A 128 6.117 4.967 -1.670 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.814 5.229 0.140 1.00 0.00 C ATOM 0 H VAL A 128 9.932 5.302 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 128 8.268 4.122 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 128 7.416 6.642 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.363 5.332 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.849 5.265 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.167 3.880 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 128 7.018 5.588 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 128 7.917 4.150 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.752 5.714 0.411 1.00 0.00 H new ATOM 1983 N GLU A 129 8.338 5.836 -4.590 1.00 0.00 N ATOM 1984 CA GLU A 129 8.481 6.781 -5.693 1.00 0.00 C ATOM 1985 C GLU A 129 7.396 6.567 -6.751 1.00 0.00 C ATOM 1986 O GLU A 129 7.238 5.464 -7.274 1.00 0.00 O ATOM 1987 CB GLU A 129 9.863 6.633 -6.333 1.00 0.00 C ATOM 1988 CG GLU A 129 10.232 5.197 -6.658 1.00 0.00 C ATOM 1989 CD GLU A 129 11.721 5.014 -6.877 1.00 0.00 C ATOM 1990 OE1 GLU A 129 12.206 5.351 -7.978 1.00 0.00 O ATOM 1991 OE2 GLU A 129 12.404 4.533 -5.949 1.00 0.00 O ATOM 0 H GLU A 129 7.883 4.958 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 129 8.371 7.788 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.895 7.224 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.612 7.048 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.906 4.549 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.695 4.881 -7.553 1.00 0.00 H new ATOM 1998 N ARG A 130 6.653 7.629 -7.069 1.00 0.00 N ATOM 1999 CA ARG A 130 5.592 7.550 -8.069 1.00 0.00 C ATOM 2000 C ARG A 130 6.178 7.454 -9.475 1.00 0.00 C ATOM 2001 O ARG A 130 6.493 8.468 -10.098 1.00 0.00 O ATOM 2002 CB ARG A 130 4.682 8.777 -7.968 1.00 0.00 C ATOM 2003 CG ARG A 130 3.496 8.747 -8.918 1.00 0.00 C ATOM 2004 CD ARG A 130 3.814 9.434 -10.238 1.00 0.00 C ATOM 2005 NE ARG A 130 3.769 8.503 -11.364 1.00 0.00 N ATOM 2006 CZ ARG A 130 3.633 8.882 -12.633 1.00 0.00 C ATOM 2007 NH1 ARG A 130 3.536 10.169 -12.943 1.00 0.00 N ATOM 2008 NH2 ARG A 130 3.595 7.970 -13.595 1.00 0.00 N ATOM 0 H ARG A 130 6.768 8.551 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 130 5.007 6.651 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.313 8.860 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.272 9.672 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.207 7.713 -9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.642 9.236 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.102 10.242 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 130 4.804 9.887 -10.182 1.00 0.00 H new ATOM 0 HE ARG A 130 3.846 7.505 -11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 130 3.565 10.875 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 130 3.432 10.452 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 130 3.670 6.980 -13.362 1.00 0.00 H new ATOM 0 HH22 ARG A 130 3.491 8.259 -14.568 1.00 0.00 H new ATOM 2022 N ALA A 131 6.320 6.225 -9.967 1.00 0.00 N ATOM 2023 CA ALA A 131 6.867 5.980 -11.303 1.00 0.00 C ATOM 2024 C ALA A 131 8.052 6.894 -11.607 1.00 0.00 C ATOM 2025 O ALA A 131 9.192 6.517 -11.259 1.00 0.00 O ATOM 2026 CB ALA A 131 5.780 6.156 -12.348 1.00 0.00 C ATOM 2027 OXT ALA A 131 7.831 7.974 -12.190 1.00 0.00 O ATOM 0 H ALA A 131 6.063 5.379 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 131 7.232 4.953 -11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.195 5.972 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.973 5.449 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.391 7.173 -12.301 1.00 0.00 H new